N-[4-(cyanomethyl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-nitro-benzenesulfonamide Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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