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

Systemtic Name: 5-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-(p-tolylsulfonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[4-(tosylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H22N2O6S2/c1-14-3-10-19(11-4-14)33(30,31)25-16-5-8-18(9-6-16)32-15(2)22(27)24-17-7-12-21(26)20(13-17)23(28)29/h3-13,15,25-26H,1-2H3,(H,24,27)(H,28,29)