5-[2-cyanoethyl(methyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-methyl-benzoate Openeye Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-methylbenzoate IUPAC Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[2-cyanoethyl(methyl)sulfamoyl]-2-methyl-benzoate Formula: C12H13N2O4S- MolecularWeight: 281.30762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCC#N)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCC#N)C(=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c1-9-4-5-10(8-11(9)12(15)16)19(17,18)14(2)7-3-6-13/h4-5,8H,3,7H2,1-2H3,(H,15,16)/p-1