5-(2-cyanoethylsulfamoyl)-2-methyl-benzoic acid

Systemtic Name: 5-(2-cyanoethylsulfamoyl)-2-methyl-benzoic acid Openeye Name: 5-(2-cyanoethylsulfamoyl)-2-methyl-benzoic acid CAS Name: 5-(2-cyanoethylsulfamoyl)-2-methylbenzoic acid IUPAC Name: 5-(2-cyanoethylsulfamoyl)-2-methylbenzoic acid Traditional Name: 5-(2-cyanoethylsulfamoyl)-2-methyl-benzoic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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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)