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

Systemtic Name: N-[(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-1-phenyl-prop-2-enyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-1-phenyl-allyl]-4-methyl-benzenesulfonamide CAS Name: N-[(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-1-phenylprop-2-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-1-phenylprop-2-enyl]-4-methylbenzenesulfonamide Traditional Name: N-[(E)-3-(1,3-benzodioxol-5-yl)-2-nitro-1-phenyl-allyl]-4-methyl-benzenesulfonamide Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)/C(=C\C3=CC4=C(C=C3)OCO4)/[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O6S/c1-16-7-10-19(11-8-16)32(28,29)24-23(18-5-3-2-4-6-18)20(25(26)27)13-17-9-12-21-22(14-17)31-15-30-21/h2-14,23-24H,15H2,1H3/b20-13+