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

Systemtic Name: methyl 3-[2-[(4-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C25H26N2O6S2/c1-4-33-21-10-8-20(9-11-21)27(35(30,31)23-14-12-22(34-3)13-15-23)17-24(28)26-19-7-5-6-18(16-19)25(29)32-2/h5-16H,4,17H2,1-3H3,(H,26,28)