2-(4-fluorophenyl)sulfonyl-3-[4-[methyl(phenyl)amino]-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-3-[4-[methyl(phenyl)amino]-3-nitro-phenyl]prop-2-enenitrile Openeye Name: 2-(4-fluorophenyl)sulfonyl-3-[4-(N-methylanilino)-3-nitro-phenyl]prop-2-enenitrile CAS Name: 2-(4-fluorophenyl)sulfonyl-3-[4-(N-methylanilino)-3-nitrophenyl]-2-propenenitrile IUPAC Name: 2-(4-fluorophenyl)sulfonyl-3-[4-(N-methylanilino)-3-nitrophenyl]prop-2-enenitrile Traditional Name: 2-(4-fluorophenyl)sulfonyl-3-[4-(N-methylanilino)-3-nitro-phenyl]acrylonitrile Formula: C22H16FN3O4S MolecularWeight: 437.443543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H16FN3O4S/c1-25(18-5-3-2-4-6-18)21-12-7-16(14-22(21)26(27)28)13-20(15-24)31(29,30)19-10-8-17(23)9-11-19/h2-14H,1H3