3-(2-chloranyl-2-cyano-ethyl)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2-chloranyl-2-cyano-ethyl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(2-chloro-2-cyano-ethyl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(2-chloro-2-cyanoethyl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(2-chloro-2-cyanoethyl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-(2-chloro-2-cyano-ethyl)-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C16H13ClN2O5S MolecularWeight: 380.80282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)CC(C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)CC(C#N)Cl

InChI

InChI=1S/C16H13ClN2O5S/c17-12(9-18)7-10-6-11(16(20)21)8-14(25(19,22)23)15(10)24-13-4-2-1-3-5-13/h1-6,8,12H,7H2,(H,20,21)(H2,19,22,23)