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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-14(7-3-6-13)19(17,18)9-10-4-2-5-11(8-10)12(15)16/h2,4-5,8H,3,7,9H2,1H3,(H,15,16)