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

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-28-19-15-17(16-20(29-2)22(19)30-3)9-10-21(25)23-11-13-24(14-12-23)31(26,27)18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3