N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-4-nitro-benzenesulfonamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O6S/c1-22-8-10-23(11-9-22)18(15-2-7-19-20(12-15)30-14-29-19)13-21-31(27,28)17-5-3-16(4-6-17)24(25)26/h2-7,12,18,21H,8-11,13-14H2,1H3