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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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