N-butyl-N-(cyanomethyl)-1-(2-nitrophenyl)methanesulfonamide

Systemtic Name: N-butyl-N-(cyanomethyl)-1-(2-nitrophenyl)methanesulfonamide Openeye Name: N-butyl-N-(cyanomethyl)-1-(2-nitrophenyl)methanesulfonamide CAS Name: N-butyl-N-(cyanomethyl)-1-(2-nitrophenyl)methanesulfonamide IUPAC Name: N-butyl-N-(cyanomethyl)-1-(2-nitrophenyl)methanesulfonamide Traditional Name: N-butyl-N-(cyanomethyl)-1-(2-nitrophenyl)methanesulfonamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC#N)S(=O)(=O)CC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-2-3-9-15(10-8-14)21(19,20)11-12-6-4-5-7-13(12)16(17)18/h4-7H,2-3,9-11H2,1H3