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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S2/c1-30-18-8-6-17(7-9-18)23-20(25)14-29-21(26)15-3-2-12-24(13-15)31(27,28)19-10-4-16(22)5-11-19/h4-11,15H,2-3,12-14H2,1H3,(H,23,25)