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

Systemtic Name: 2-methylpropyl 2-(ethylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate Openeye Name: isobutyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(ethylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(ethylamino)-4-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(ethylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(ethylamino)isonipecotic acid isobutyl ester Formula: C29H43N3O4S MolecularWeight: 529.73442

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C29H43N3O4S/c1-5-30-28-20-25(29(33)36-22-23(2)3)16-18-32(28)19-17-26(24-12-8-6-9-13-24)21-31(4)37(34,35)27-14-10-7-11-15-27/h6-15,23,25-26,28,30H,5,16-22H2,1-4H3