[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-2-25(16-18-6-4-3-5-7-18)22(27)17-31-23(28)19-12-14-26(15-13-19)32(29,30)21-10-8-20(24)9-11-21/h3-11,19H,2,12-17H2,1H3