3-(2,3-dimethoxyphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(2,3-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dimethoxyphenyl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(2,3-dimethoxyphenyl)propan-1-one Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c1-27-19-10-6-7-17(21(19)28-2)11-12-20(24)22-13-15-23(16-14-22)29(25,26)18-8-4-3-5-9-18/h3-10H,11-16H2,1-2H3