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

Systemtic Name: methyl 2-(methylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(methylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(methylamino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(methylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(methylamino)isonipecotic acid methyl ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H35N3O4S/c1-26-24-18-21(25(29)32-3)14-16-28(24)17-15-22(20-10-6-4-7-11-20)19-27(2)33(30,31)23-12-8-5-9-13-23/h4-13,21-22,24,26H,14-19H2,1-3H3