N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitro-aniline CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-methyl-1-piperazinyl)sulfonyl]-4-nitroaniline IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-methylpiperazin-1-yl)sulfonyl-4-nitroaniline Traditional Name: [2-(4-methylpiperazino)sulfonyl-4-nitro-phenyl]-[(E)-piperonylideneamino]amine Formula: C19H21N5O6S MolecularWeight: 447.46494

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O6S/c1-22-6-8-23(9-7-22)31(27,28)19-11-15(24(25)26)3-4-16(19)21-20-12-14-2-5-17-18(10-14)30-13-29-17/h2-5,10-12,21H,6-9,13H2,1H3/b20-12+