5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-cyanoethyl(isopropyl)sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-cyanoethyl(isopropyl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-9(2)15(7-3-6-14)21(19,20)10-4-5-12(16)11(8-10)13(17)18/h4-5,8-9,16H,3,7H2,1-2H3,(H,17,18)