N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,2R,5S)-5-[methyl(propan-2-yl)amino]-2-(phenylsulfonylmethyl)cyclohexyl]propanediamide

Systemtic Name: N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S,2R,5S)-5-[methyl(propan-2-yl)amino]-2-(phenylsulfonylmethyl)cyclohexyl]propanediamide Openeye Name: N-[(1S,2R,5S)-2-(benzenesulfonylmethyl)-5-[isopropyl(methyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]propanediamide CAS Name: N-[(1S,2R,5S)-2-(benzenesulfonylmethyl)-5-[methyl(propan-2-yl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]propanediamide IUPAC Name: N-[(1S,2R,5S)-2-(benzenesulfonylmethyl)-5-[methyl(propan-2-yl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]propanediamide Traditional Name: N-[(1S,2R,5S)-2-(besylmethyl)-5-[isopropyl(methyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]malonamide Formula: C28H33F6N3O4S MolecularWeight: 621.634739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C1CCC(C(C1)NC(=O)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(C)[C@H]1CC[C@H]([C@H](C1)NC(=O)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H33F6N3O4S/c1-17(2)37(3)22-10-9-18(16-42(40,41)23-7-5-4-6-8-23)24(14-22)36-26(39)15-25(38)35-21-12-19(27(29,30)31)11-20(13-21)28(32,33)34/h4-8,11-13,17-18,22,24H,9-10,14-16H2,1-3H3,(H,35,38)(H,36,39)/t18-,22-,24-/m0/s1