3-[[(4-cyano-2-nitro-phenyl)amino]methyl]benzenesulfonamide

Systemtic Name: 3-[[(4-cyano-2-nitro-phenyl)amino]methyl]benzenesulfonamide Openeye Name: 3-[(4-cyano-2-nitro-anilino)methyl]benzenesulfonamide CAS Name: 3-[(4-cyano-2-nitroanilino)methyl]benzenesulfonamide IUPAC Name: 3-[(4-cyano-2-nitroanilino)methyl]benzenesulfonamide Traditional Name: 3-[(4-cyano-2-nitro-anilino)methyl]benzenesulfonamide Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4S/c15-8-10-4-5-13(14(7-10)18(19)20)17-9-11-2-1-3-12(6-11)23(16,21)22/h1-7,17H,9H2,(H2,16,21,22)