N-(4-cyanophenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-cyanophenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(4-cyanophenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(4-cyanophenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(4-cyanophenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(4-cyanophenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

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