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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

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