N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6S/c1-10-3-5-13(8-14(10)19(20)21)26(22,23)18-17-11(2)12-4-6-15-16(7-12)25-9-24-15/h3-8,18H,9H2,1-2H3/b17-11+