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

Systemtic Name: ethyl 3-methyl-4-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-methyl-4-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S2/c1-5-33-26(30)20-8-15-24(19(3)16-20)27-25(29)17-28(21-9-6-18(2)7-10-21)35(31,32)23-13-11-22(34-4)12-14-23/h6-16H,5,17H2,1-4H3,(H,27,29)