N-[2-[[(1S,2R,5R)-5-(dimethylamino)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-(methylamino)-5-(trifluoromethyloxy)benzamide

Systemtic Name: N-[2-[[(1S,2R,5R)-5-(dimethylamino)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-(methylamino)-5-(trifluoromethyloxy)benzamide Openeye Name: N-[2-[[(1S,2R,5R)-5-(dimethylamino)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxo-ethyl]-2-(methylamino)-5-(trifluoromethoxy)benzamide CAS Name: N-[2-[[(1S,2R,5R)-5-(dimethylamino)-2-[[4-(methylthio)phenyl]sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]-2-(methylamino)-5-(trifluoromethoxy)benzamide IUPAC Name: N-[2-[[(1S,2R,5R)-5-(dimethylamino)-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]-2-(methylamino)-5-(trifluoromethoxy)benzamide Traditional Name: N-[2-[[(1S,2R,5R)-5-(dimethylamino)-2-[[4-(methylthio)phenyl]sulfonylmethyl]cyclohexyl]amino]-2-keto-ethyl]-2-(methylamino)-5-(trifluoromethoxy)benzamide Formula: C27H35F3N4O5S2 MolecularWeight: 616.71581

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)OC(F)(F)F)C(=O)NCC(=O)NC2CC(CCC2CS(=O)(=O)C3=CC=C(C=C3)SC)N(C)C

Isomeric SMILES

CNC1=C(C=C(C=C1)OC(F)(F)F)C(=O)NCC(=O)N[C@H]2C[C@@H](CC[C@H]2CS(=O)(=O)C3=CC=C(C=C3)SC)N(C)C

InChI

InChI=1S/C27H35F3N4O5S2/c1-31-23-12-7-19(39-27(28,29)30)14-22(23)26(36)32-15-25(35)33-24-13-18(34(2)3)6-5-17(24)16-41(37,38)21-10-8-20(40-4)9-11-21/h7-12,14,17-18,24,31H,5-6,13,15-16H2,1-4H3,(H,32,36)(H,33,35)/t17-,18+,24-/m0/s1