2-(azepan-1-ylsulfonyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-aniline

Systemtic Name: 2-(azepan-1-ylsulfonyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitro-aniline Openeye Name: 2-(azepan-1-ylsulfonyl)-N-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-4-nitro-aniline CAS Name: 2-(1-azepanylsulfonyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline IUPAC Name: 2-(azepan-1-ylsulfonyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-nitroaniline Traditional Name: [2-(azepan-1-ylsulfonyl)-4-nitro-phenyl]-[(Z)-piperonylideneamino]amine Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C\C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O6S/c25-24(26)16-6-7-17(20(12-16)31(27,28)23-9-3-1-2-4-10-23)22-21-13-15-5-8-18-19(11-15)30-14-29-18/h5-8,11-13,22H,1-4,9-10,14H2/b21-13-