3-[2-cyanoethyl(methyl)sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-methyl-benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)CCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)CCC#N

InChI

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