4-(dimethylamino)-2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(dimethylamino)-2-[(4-methylphenyl)sulfonylmethyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-(dimethylamino)-3-nitro-2-(p-tolylsulfonylmethyl)benzonitrile CAS Name: 4-(dimethylamino)-2-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzonitrile IUPAC Name: 4-(dimethylamino)-2-[(4-methylphenyl)sulfonylmethyl]-3-nitrobenzonitrile Traditional Name: 4-(dimethylamino)-3-nitro-2-(tosylmethyl)benzonitrile Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-12-4-7-14(8-5-12)25(23,24)11-15-13(10-18)6-9-16(19(2)3)17(15)20(21)22/h4-9H,11H2,1-3H3