5-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-(p-tolylsulfonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-(tosylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H20N2O6S2/c1-14-2-9-18(10-3-14)32(29,30)24-15-4-7-17(8-5-15)31-13-21(26)23-16-6-11-20(25)19(12-16)22(27)28/h2-12,24-25H,13H2,1H3,(H,23,26)(H,27,28)