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

Systemtic Name: methyl 2-(butylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(butylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(butylamino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(butylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(butylamino)isonipecotic acid methyl ester Formula: C28H41N3O4S MolecularWeight: 515.70784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H41N3O4S/c1-4-5-18-29-27-21-24(28(32)35-3)16-19-31(27)20-17-25(23-12-8-6-9-13-23)22-30(2)36(33,34)26-14-10-7-11-15-26/h6-15,24-25,27,29H,4-5,16-22H2,1-3H3