N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propyl-methanesulfonamide

Systemtic Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propyl-methanesulfonamide Openeye Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propyl-methanesulfonamide CAS Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propylmethanesulfonamide IUPAC Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propylmethanesulfonamide Traditional Name: N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propyl-methanesulfonamide Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-2-9-15(10-5-8-14)21(19,20)11-12-6-3-4-7-13(12)16(17)18/h3-4,6-7H,2,5,9-11H2,1H3