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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-nitro-aniline Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-[(2,4-dimethyl-1-piperidyl)sulfonyl]-4-nitro-aniline CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2,4-dimethyl-1-piperidinyl)sulfonyl]-4-nitroaniline IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-nitroaniline Traditional Name: [2-(2,4-dimethylpiperidino)sulfonyl-4-nitro-phenyl]-[(E)-piperonylideneamino]amine Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(C(C1)C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O6S/c1-14-7-8-24(15(2)9-14)32(28,29)21-11-17(25(26)27)4-5-18(21)23-22-12-16-3-6-19-20(10-16)31-13-30-19/h3-6,10-12,14-15,23H,7-9,13H2,1-2H3/b22-12+