N-(2-cyanoethyl)-4-methoxy-N-methyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-2-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-2-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-2-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-2-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-2-nitro-benzenesulfonamide Formula: C11H13N3O5S MolecularWeight: 299.30302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S/c1-13(7-3-6-12)20(17,18)11-5-4-9(19-2)8-10(11)14(15)16/h4-5,8H,3,7H2,1-2H3