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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylideneamino)ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethyleneamino)ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylideneamino)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylideneamino)ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[2-(piperonylideneamino)ethyl]benzenesulfonamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCN=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCN=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-12-2-4-14(9-15(12)20(21)22)27(23,24)19-7-6-18-10-13-3-5-16-17(8-13)26-11-25-16/h2-5,8-10,19H,6-7,11H2,1H3