3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCC#N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NCCC#N)C

InChI

InChI=1S/C12H14N2O4S/c1-8-6-10(12(15)16)7-11(9(8)2)19(17,18)14-5-3-4-13/h6-7,14H,3,5H2,1-2H3,(H,15,16)