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

Systemtic Name: methyl 2-(cyclobutylmethylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(cyclobutylmethylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(cyclobutylmethylamino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(cyclobutylmethylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(cyclobutylmethylamino)isonipecotic acid methyl ester Formula: C29H41N3O4S MolecularWeight: 527.71854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1NCC2CCC2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(CCN1CCC(CC1NCC2CCC2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H41N3O4S/c1-31(37(34,35)27-14-7-4-8-15-27)22-26(24-12-5-3-6-13-24)17-19-32-18-16-25(29(33)36-2)20-28(32)30-21-23-10-9-11-23/h3-8,12-15,23,25-26,28,30H,9-11,16-22H2,1-2H3