methyl 3-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S2/c1-17-7-9-20(10-8-17)26(33(29,30)22-13-11-21(32-3)12-14-22)16-23(27)25-19-6-4-5-18(15-19)24(28)31-2/h4-15H,16H2,1-3H3,(H,25,27)