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

Systemtic Name: 4-[[2-cyanoethyl(propan-2-yl)sulfamoyl]methyl]benzoic acid Openeye Name: 4-[[2-cyanoethyl(isopropyl)sulfamoyl]methyl]benzoic acid CAS Name: 4-[[2-cyanoethyl(propan-2-yl)sulfamoyl]methyl]benzoic acid IUPAC Name: 4-[[2-cyanoethyl(propan-2-yl)sulfamoyl]methyl]benzoic acid Traditional Name: 4-[[2-cyanoethyl(isopropyl)sulfamoyl]methyl]benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-11(2)16(9-3-8-15)21(19,20)10-12-4-6-13(7-5-12)14(17)18/h4-7,11H,3,9-10H2,1-2H3,(H,17,18)