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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(4-ethylphenyl)benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(4-ethylphenyl)benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-ethylphenyl)benzenesulfonamide Traditional Name: N-(4-ethylphenyl)-N-[2-keto-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O5S/c1-2-22-8-11-24(12-9-22)31(37(33,34)25-6-4-3-5-7-25)20-28(32)30-16-14-29(15-17-30)19-23-10-13-26-27(18-23)36-21-35-26/h3-13,18H,2,14-17,19-21H2,1H3