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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazino)ethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide Formula: C27H28N4O7S MolecularWeight: 552.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O7S/c1-20-5-8-24(9-6-20)39(35,36)30(22-3-2-4-23(16-22)31(33)34)18-27(32)29-13-11-28(12-14-29)17-21-7-10-25-26(15-21)38-19-37-25/h2-10,15-16H,11-14,17-19H2,1H3