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

Systemtic Name: (E)-N-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide Openeye Name: (E)-N-(4-chloro-2-nitro-phenyl)-2-cyano-3-[1-(p-tolylsulfonyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-[1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enamide Traditional Name: (E)-N-(4-chloro-2-nitro-phenyl)-2-cyano-3-(1-tosylindol-3-yl)acrylamide Formula: C25H17ClN4O5S MolecularWeight: 520.94428

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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)Cl)[N+](=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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H17ClN4O5S/c1-16-6-9-20(10-7-16)36(34,35)29-15-18(21-4-2-3-5-23(21)29)12-17(14-27)25(31)28-22-11-8-19(26)13-24(22)30(32)33/h2-13,15H,1H3,(H,28,31)/b17-12+