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

Systemtic Name: methyl 2-(cyclopropylmethylamino)-1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-2-(cyclopropylmethylamino)piperidine-4-carboxylate CAS Name: 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(cyclopropylmethylamino)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-2-(cyclopropylmethylamino)piperidine-4-carboxylate Traditional Name: 1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-2-(cyclopropylmethylamino)isonipecotic acid methyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1NCC2CC2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(CCN1CCC(CC1NCC2CC2)C(=O)OC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H39N3O4S/c1-30(36(33,34)26-11-7-4-8-12-26)21-25(23-9-5-3-6-10-23)16-18-31-17-15-24(28(32)35-2)19-27(31)29-20-22-13-14-22/h3-12,22,24-25,27,29H,13-21H2,1-2H3