[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-15-3-2-4-16(13-15)20(25)28-14-19(24)22-9-11-23(12-10-22)29(26,27)18-7-5-17(21)6-8-18/h2-8,13H,9-12,14H2,1H3