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

Systemtic Name: methyl 1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]-2-(propylamino)piperidine-4-carboxylate Openeye Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(propylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(propylamino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(propylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(propylamino)isonipecotic acid methyl ester Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H39N3O4S/c1-4-17-28-26-20-23(27(31)34-3)15-18-30(26)19-16-24(22-11-7-5-8-12-22)21-29(2)35(32,33)25-13-9-6-10-14-25/h5-14,23-24,26,28H,4,15-21H2,1-3H3