4-(phenylmethyl)-3-sulfamoyl-5-sulfanyl-benzoic acid

Systemtic Name: 4-(phenylmethyl)-3-sulfamoyl-5-sulfanyl-benzoic acid Openeye Name: 4-benzyl-3-sulfamoyl-5-sulfanyl-benzoic acid CAS Name: 3-mercapto-4-(phenylmethyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-benzyl-3-sulfamoyl-5-sulfanylbenzoic acid Traditional Name: 4-benzyl-3-mercapto-5-sulfamoyl-benzoic acid Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)S

InChI

InChI=1S/C14H13NO4S2/c15-21(18,19)13-8-10(14(16)17)7-12(20)11(13)6-9-4-2-1-3-5-9/h1-5,7-8,20H,6H2,(H,16,17)(H2,15,18,19)