[2-azanyl-4-(phenylsulfonyl)butanoyl] 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: [2-azanyl-4-(phenylsulfonyl)butanoyl] 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate Openeye Name: [2-amino-4-(benzenesulfonyl)butanoyl] 1-[3-(4-piperidyl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinecarboxylic acid [2-amino-4-(benzenesulfonyl)-1-oxobutyl] ester IUPAC Name: [2-amino-4-(benzenesulfonyl)butanoyl] 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate Traditional Name: 1-[3-(4-piperidyl)propanoyl]nipecotic acid (2-amino-4-besyl-butanoyl) ester Formula: C24H35N3O6S MolecularWeight: 493.6162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)OC(=O)C(CCS(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)OC(=O)C(CCS(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C24H35N3O6S/c25-21(12-16-34(31,32)20-6-2-1-3-7-20)24(30)33-23(29)19-5-4-15-27(17-19)22(28)9-8-18-10-13-26-14-11-18/h1-3,6-7,18-19,21,26H,4-5,8-17,25H2