1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O6S/c1-28-18-12-15(13-19(29-2)21(18)30-3)14-20(25)23-8-10-24(11-9-23)31(26,27)17-6-4-16(22)5-7-17/h4-7,12-13H,8-11,14H2,1-3H3