3-cyano-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: 3-cyano-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide Openeye Name: 3-cyano-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide CAS Name: 3-cyano-N-(2-methyl-5-nitrophenyl)benzenesulfonamide IUPAC Name: 3-cyano-N-(2-methyl-5-nitrophenyl)benzenesulfonamide Traditional Name: 3-cyano-N-(2-methyl-5-nitro-phenyl)benzenesulfonamide Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S/c1-10-5-6-12(17(18)19)8-14(10)16-22(20,21)13-4-2-3-11(7-13)9-15/h2-8,16H,1H3