2-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H22N2O5S2/c1-16-7-9-17(10-8-16)25(32(29,30)19-13-11-18(31-2)12-14-19)15-22(26)24-21-6-4-3-5-20(21)23(27)28/h3-14H,15H2,1-2H3,(H,24,26)(H,27,28)