4-chloranyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 3-benzylsulfanyl-4-chloro-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-3-(phenylmethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-benzylsulfanyl-4-chloro-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylthio)-4-chloro-5-sulfamoyl-benzoic acid Formula: C14H12ClNO4S2 MolecularWeight: 357.83238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H12ClNO4S2/c15-13-11(21-8-9-4-2-1-3-5-9)6-10(14(17)18)7-12(13)22(16,19)20/h1-7H,8H2,(H,17,18)(H2,16,19,20)