N-[4-(cyanomethyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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