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

Systemtic Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-methyl-benzoic acid Openeye Name: 5-[2-cyanoethyl(isopropyl)sulfamoyl]-2-methyl-benzoic acid CAS Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-methylbenzoic acid IUPAC Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-methylbenzoic acid Traditional Name: 5-[2-cyanoethyl(isopropyl)sulfamoyl]-2-methyl-benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10(2)16(8-4-7-15)21(19,20)12-6-5-11(3)13(9-12)14(17)18/h5-6,9-10H,4,8H2,1-3H3,(H,17,18)