2-[4-(phenylsulfonyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O6S/c1-28-18-13-16(14-19(29-2)21(18)30-3)22-20(25)15-23-9-11-24(12-10-23)31(26,27)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)