4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-N-(4-methoxyphenyl)benzenesulfonamide

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethoxy]-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethoxy]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethoxy]-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: 4-[2-keto-2-(4-piperonylpiperazino)ethoxy]-N-(4-methoxyphenyl)benzenesulfonamide Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O7S/c1-34-22-5-3-21(4-6-22)28-38(32,33)24-9-7-23(8-10-24)35-18-27(31)30-14-12-29(13-15-30)17-20-2-11-25-26(16-20)37-19-36-25/h2-11,16,28H,12-15,17-19H2,1H3