4-(4-methylphenyl)sulfanyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-(phenylmethylsulfanyl)-5-sulfamoyl-benzoic acid Openeye Name: 3-benzylsulfanyl-4-(p-tolylsulfanyl)-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-methylphenyl)thio]-3-(phenylmethylthio)-5-sulfamoylbenzoic acid IUPAC Name: 3-benzylsulfanyl-4-(4-methylphenyl)sulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylthio)-4-(p-tolylthio)-5-sulfamoyl-benzoic acid Formula: C21H19NO4S3 MolecularWeight: 445.57486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO4S3/c1-14-7-9-17(10-8-14)28-20-18(27-13-15-5-3-2-4-6-15)11-16(21(23)24)12-19(20)29(22,25)26/h2-12H,13H2,1H3,(H,23,24)(H2,22,25,26)