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

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-27-18-13-16(14-19(28-2)21(18)29-3)15-20(24)22-9-11-23(12-10-22)30(25,26)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3