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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(4-iodophenyl)methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-N-(4-iodophenyl)methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(4-iodophenyl)methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-iodophenyl)methanesulfonamide Traditional Name: N-(4-iodophenyl)-N-[2-keto-2-(4-piperonylpiperazino)ethyl]methanesulfonamide Formula: C21H24IN3O5S MolecularWeight: 557.40183

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C21H24IN3O5S/c1-31(27,28)25(18-5-3-17(22)4-6-18)14-21(26)24-10-8-23(9-11-24)13-16-2-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3