2-chloranyl-5-[2-cyanoethyl-(4-methylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-cyanoethyl-(4-methylphenyl)sulfamoyl]benzoic acid Openeye Name: 2-chloro-5-[2-cyanoethyl(p-tolyl)sulfamoyl]benzoic acid CAS Name: 2-chloro-5-[2-cyanoethyl-(4-methylphenyl)sulfamoyl]benzoic acid IUPAC Name: 2-chloro-5-[2-cyanoethyl-(4-methylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-chloro-5-[2-cyanoethyl(p-tolyl)sulfamoyl]benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN2O4S/c1-12-3-5-13(6-4-12)20(10-2-9-19)25(23,24)14-7-8-16(18)15(11-14)17(21)22/h3-8,11H,2,10H2,1H3,(H,21,22)