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

Systemtic Name: ethyl 2-methyl-3-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-methyl-3-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-[[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-methyl-3-[[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=C(C(=CC=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=C(C(=CC=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)23-7-6-8-24(19(23)3)27-25(29)17-28(20-11-9-18(2)10-12-20)35(31,32)22-15-13-21(34-4)14-16-22/h6-16H,5,17H2,1-4H3,(H,27,29)