5-(2-cyanoethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: 5-(2-cyanoethylsulfamoyl)-2-methyl-benzoate Openeye Name: 5-(2-cyanoethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(2-cyanoethylsulfamoyl)-2-methylbenzoate IUPAC Name: 5-(2-cyanoethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(2-cyanoethylsulfamoyl)-2-methyl-benzoate Formula: C11H11N2O4S- MolecularWeight: 267.28104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4S/c1-8-3-4-9(7-10(8)11(14)15)18(16,17)13-6-2-5-12/h3-4,7,13H,2,6H2,1H3,(H,14,15)/p-1