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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

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