methyl 2-(cyclohexylmethylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate

Systemtic Name: methyl 2-(cyclohexylmethylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(cyclohexylmethylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(cyclohexylmethylamino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(cyclohexylmethylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(cyclohexylmethylamino)isonipecotic acid methyl ester Formula: C31H45N3O4S MolecularWeight: 555.7717

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1NCC2CCCCC2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(CCN1CCC(CC1NCC2CCCCC2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H45N3O4S/c1-33(39(36,37)29-16-10-5-11-17-29)24-28(26-14-8-4-9-15-26)19-21-34-20-18-27(31(35)38-2)22-30(34)32-23-25-12-6-3-7-13-25/h4-5,8-11,14-17,25,27-28,30,32H,3,6-7,12-13,18-24H2,1-2H3