N-[(1S,2R,4R)-2-[(4-bromophenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamide

Systemtic Name: N-[(1S,2R,4R)-2-[(4-bromophenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamide Openeye Name: N-[(1S,2R,4R)-2-[(4-bromophenyl)sulfonylmethyl]-4-[isopropyl(methyl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide CAS Name: N-[(1S,2R,4R)-2-[(4-bromophenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide IUPAC Name: N-[(1S,2R,4R)-2-[(4-bromophenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide Traditional Name: N-[(1S,2R,4R)-2-(brosylmethyl)-4-[isopropyl(methyl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide Formula: C27H32BrF3N4O3S MolecularWeight: 629.53219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C1CCC(C(C1)CS(=O)(=O)C2=CC=C(C=C2)Br)NC(=O)CC3=NC4=C(C=CC=C4N3)C(F)(F)F

Isomeric SMILES

CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)Br)NC(=O)CC3=NC4=C(C=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C27H32BrF3N4O3S/c1-16(2)35(3)19-9-12-22(17(13-19)15-39(37,38)20-10-7-18(28)8-11-20)33-25(36)14-24-32-23-6-4-5-21(26(23)34-24)27(29,30)31/h4-8,10-11,16-17,19,22H,9,12-15H2,1-3H3,(H,32,34)(H,33,36)/t17-,19+,22-/m0/s1