N-[4-(cyanomethyl)phenyl]-1-(2-nitrophenyl)methanesulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(2-nitrophenyl)methanesulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(2-nitrophenyl)methanesulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(2-nitrophenyl)methanesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(2-nitrophenyl)methanesulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(2-nitrophenyl)methanesulfonamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c16-10-9-12-5-7-14(8-6-12)17-23(21,22)11-13-3-1-2-4-15(13)18(19)20/h1-8,17H,9,11H2