(E)-3-[4-(methylamino)-3-nitro-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(methylamino)-3-nitrophenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(methylamino)-3-nitro-phenyl]-2-tosyl-acrylonitrile Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)NC)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)NC)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H15N3O4S/c1-12-3-6-14(7-4-12)25(23,24)15(11-18)9-13-5-8-16(19-2)17(10-13)20(21)22/h3-10,19H,1-2H3/b15-9+