3-[2-cyanoethyl-(3-methoxyphenyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[2-cyanoethyl-(3-methoxyphenyl)sulfamoyl]benzoic acid Openeye Name: 3-[2-cyanoethyl-(3-methoxyphenyl)sulfamoyl]benzoic acid CAS Name: 3-[2-cyanoethyl-(3-methoxyphenyl)sulfamoyl]benzoic acid IUPAC Name: 3-[2-cyanoethyl-(3-methoxyphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[2-cyanoethyl-(3-methoxyphenyl)sulfamoyl]benzoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H16N2O5S/c1-24-15-7-3-6-14(12-15)19(10-4-9-18)25(22,23)16-8-2-5-13(11-16)17(20)21/h2-3,5-8,11-12H,4,10H2,1H3,(H,20,21)