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

Systemtic Name: 4-[[(4-cyano-2-nitro-phenyl)amino]methyl]benzenesulfonamide Openeye Name: 4-[(4-cyano-2-nitro-anilino)methyl]benzenesulfonamide CAS Name: 4-[(4-cyano-2-nitroanilino)methyl]benzenesulfonamide IUPAC Name: 4-[(4-cyano-2-nitroanilino)methyl]benzenesulfonamide Traditional Name: 4-[(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=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])S(=O)(=O)N

InChI

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