4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[4-[methyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]amino]benzoic acid Traditional Name: 4-[[4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]amino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5S2/c1-24(31(28,29)20-13-11-19(30-2)12-14-20)18-9-5-15(6-10-18)21(25)23-17-7-3-16(4-8-17)22(26)27/h3-14H,1-2H3,(H,23,25)(H,26,27)