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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCNC1CC(CCN1CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H39N3O4S/c1-4-28-26-20-23(27(31)34-5-2)16-18-30(26)19-17-24(22-12-8-6-9-13-22)21-29(3)35(32,33)25-14-10-7-11-15-25/h6-15,23-24,26,28H,4-5,16-21H2,1-3H3