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

Systemtic Name: 5-(dimethylamino)-3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-benzenecarbonitrile Openeye Name: 5-(dimethylamino)-2-nitro-3-(p-tolylsulfonylmethyl)benzonitrile CAS Name: 5-(dimethylamino)-3-[(4-methylphenyl)sulfonylmethyl]-2-nitrobenzonitrile IUPAC Name: 5-(dimethylamino)-3-[(4-methylphenyl)sulfonylmethyl]-2-nitrobenzonitrile Traditional Name: 5-(dimethylamino)-2-nitro-3-(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(C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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