N-[4-(cyanomethyl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-nitro-benzenesulfonamide Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S/c15-9-8-11-4-6-12(7-5-11)16-22(20,21)14-3-1-2-13(10-14)17(18)19/h1-7,10,16H,8H2