N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitro-benzenesulfonamide Formula: C13H17N3O5S MolecularWeight: 327.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COCCCN(CCC#N)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-21-11-3-10-15(9-2-8-14)22(19,20)13-6-4-12(5-7-13)16(17)18/h4-7H,2-3,9-11H2,1H3