[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S2/c1-30-18-6-2-5-17(12-18)23-20(25)14-29-21(26)15-4-3-11-24(13-15)31(27,28)19-9-7-16(22)8-10-19/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,23,25)