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

Systemtic Name: ethyl 3-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S2/c1-4-32-25(29)19-6-5-7-20(16-19)26-24(28)17-27(21-10-8-18(2)9-11-21)34(30,31)23-14-12-22(33-3)13-15-23/h5-16H,4,17H2,1-3H3,(H,26,28)