[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylcyclohexene-1-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylcyclohexene-1-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-chlorocyclohexene-1-carboxylate CAS Name: 2-chloro-1-cyclohexenecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-chlorocyclohexene-1-carboxylate Traditional Name: 2-chlorocyclohexene-1-carboxylic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H22Cl2N2O5S MolecularWeight: 461.35938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(=C(C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O5S/c20-14-5-7-15(8-6-14)29(26,27)23-11-9-22(10-12-23)18(24)13-28-19(25)16-3-1-2-4-17(16)21/h5-8H,1-4,9-13H2