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

Systemtic Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(dimethylamino)-3-nitrophenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(dimethylamino)-3-nitrophenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(dimethylamino)-3-nitro-phenyl]-2-tosyl-acrylonitrile Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-13-4-7-15(8-5-13)26(24,25)16(12-19)10-14-6-9-17(20(2)3)18(11-14)21(22)23/h4-11H,1-3H3/b16-10+