[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S/c22-18-6-4-5-16(13-18)14-23-20(25)15-29-21(26)17-9-11-24(12-10-17)30(27,28)19-7-2-1-3-8-19/h1-8,13,17H,9-12,14-15H2,(H,23,25)