[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-15-11-16(2)13-17(12-15)21(26)29-14-20(25)23-7-9-24(10-8-23)30(27,28)19-5-3-18(22)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3