N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]amino]phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]amino]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]amino]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]amino]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]amino]phenyl]-4-nitro-benzenesulfonamide Formula: C22H17N3O7S MolecularWeight: 467.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CNC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/NC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O7S/c26-20(15-5-10-21-22(13-15)32-14-31-21)11-12-23-18-3-1-2-4-19(18)24-33(29,30)17-8-6-16(7-9-17)25(27)28/h1-13,23-24H,14H2/b12-11+