N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(4-benzyloxyphenyl)methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-phenylmethoxyphenyl)methanesulfonamide Traditional Name: N-(4-benzoxyphenyl)-N-[2-keto-2-(4-piperonylpiperazino)ethyl]methanesulfonamide Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O6S/c1-38(33,34)31(24-8-10-25(11-9-24)35-20-22-5-3-2-4-6-22)19-28(32)30-15-13-29(14-16-30)18-23-7-12-26-27(17-23)37-21-36-26/h2-12,17H,13-16,18-21H2,1H3