N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]amino]be...
C18H17F3N4O2S
2290608-13-6 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 6.3388 8.0021 0.0 0
M  V30 2 S 3.2587 2.6673 0.0 0 VAL=6
M  V30 3 N 2.4887 1.3337 0.0 0
M  V30 4 O 1.9250 3.4373 0.0 0
M  V30 5 O 4.5924 1.8973 0.0 0
M  V30 6 C 3.2587 0.0000 0.0 0
M  V30 7 C 0.0000 10.2960 0.0 0
M  V30 8 C 12.4989 8.0021 0.0 0
M  V30 9 F 12.4989 9.5422 0.0 0
M  V30 10 F 14.0389 8.0021 0.0 0
M  V30 11 F 12.4989 6.4621 0.0 0
M  V30 12 C 4.0287 6.6685 0.0 0
M  V30 13 C 5.5687 6.6685 0.0 0
M  V30 14 C 3.2587 5.3348 0.0 0
M  V30 15 C 6.3388 5.3348 0.0 0
M  V30 16 C 4.0287 4.0011 0.0 0
M  V30 17 C 5.5687 4.0011 0.0 0
M  V30 18 C 3.2587 8.0021 0.0 0
M  V30 19 C 1.7271 8.1632 0.0 0
M  V30 20 N 3.8850 9.4091 0.0 0
M  V30 21 N 1.4070 9.6695 0.0 0
M  V30 22 C 2.7406 10.4395 0.0 0
M  V30 23 C 7.8788 8.0021 0.0 0
M  V30 24 C 8.6488 9.3360 0.0 0
M  V30 25 C 8.6488 6.6685 0.0 0
M  V30 26 C 10.1888 9.3360 0.0 0
M  V30 27 C 10.1888 6.6685 0.0 0
M  V30 28 C 10.9588 8.0021 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13
M  V30 2 1 1 23
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 2 2 5
M  V30 6 1 2 16
M  V30 7 1 3 6
M  V30 8 1 7 21
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 1 8 11
M  V30 12 1 8 28
M  V30 13 2 12 13
M  V30 14 1 12 14
M  V30 15 1 12 18
M  V30 16 1 13 15
M  V30 17 2 14 16
M  V30 18 2 15 17
M  V30 19 1 16 17
M  V30 20 2 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 2 20 22
M  V30 24 1 21 22
M  V30 25 2 23 24
M  V30 26 1 23 25
M  V30 27 1 24 26
M  V30 28 2 25 27
M  V30 29 2 26 28
M  V30 30 1 27 28
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2290608-13-6

> <cas.index.name>
Benzenesulfonamide, N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]amino]-

> <molecular.formula>
C18H17F3N4O2S

> <molecular.weight>
410.42

> <boiling.point.predicted>
583.6±60.0 °C    Press: 760 Torr

> <density.predicted>
1.39±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
11.55±0.50    Most Acidic Temp: 25 °C

$$$$
