4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid Openeye Name: 4-[2-cyanoethyl(isopropyl)sulfamoyl]benzoic acid CAS Name: 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-[2-cyanoethyl(propan-2-yl)sulfamoyl]benzoic acid Traditional Name: 4-[2-cyanoethyl(isopropyl)sulfamoyl]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-10(2)15(9-3-8-14)20(18,19)12-6-4-11(5-7-12)13(16)17/h4-7,10H,3,9H2,1-2H3,(H,16,17)