[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-30-19-6-8-20(9-7-19)32(28,29)25-12-10-17(11-13-25)22(27)31-15-21(26)24-14-16-2-4-18(23)5-3-16/h2-9,17H,10-15H2,1H3,(H,24,26)