(E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(4-nitro-2-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(4-nitro-2-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-hydroxy-4-nitro-phenyl)-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-hydroxy-4-nitro-phenyl)-3-(1-tosylindol-3-yl)acrylamide Formula: C25H18N4O6S MolecularWeight: 502.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C25H18N4O6S/c1-16-6-9-20(10-7-16)36(34,35)28-15-18(21-4-2-3-5-23(21)28)12-17(14-26)25(31)27-22-11-8-19(29(32)33)13-24(22)30/h2-13,15,30H,1H3,(H,27,31)/b17-12+