ethyl 1-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]nipecotic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)18-8-7-11-23(16-18)17(2)20(25)22-12-14-24(15-13-22)30(27,28)19-9-5-4-6-10-19/h4-6,9-10,17-18H,3,7-8,11-16H2,1-2H3