3-[2-cyanoethyl(methyl)sulfamoyl]-4-ethyl-benzoic acid

Systemtic Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-ethyl-benzoic acid Openeye Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-ethyl-benzoic acid CAS Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-ethylbenzoic acid IUPAC Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-ethylbenzoic acid Traditional Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-4-ethyl-benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)CCC#N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)CCC#N

InChI

InChI=1S/C13H16N2O4S/c1-3-10-5-6-11(13(16)17)9-12(10)20(18,19)15(2)8-4-7-14/h5-6,9H,3-4,8H2,1-2H3,(H,16,17)