3-(3,5-dimethoxyphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(3,5-dimethoxyphenyl)propan-1-one Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

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