4-chloranyl-3-(2-cyanoethyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(2-cyanoethyl)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-3-(2-cyanoethyl)-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-3-(2-cyanoethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-3-(2-cyanoethyl)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-3-(2-cyanoethyl)-5-sulfamoyl-benzoic acid Formula: C10H9ClN2O4S MolecularWeight: 288.70746

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CCC#N)Cl)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CCC#N)Cl)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C10H9ClN2O4S/c11-9-6(2-1-3-12)4-7(10(14)15)5-8(9)18(13,16)17/h4-5H,1-2H2,(H,14,15)(H2,13,16,17)