methyl 2-chloranyl-5-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C25H25ClN2O6S2 MolecularWeight: 549.0588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H25ClN2O6S2/c1-4-34-23-8-6-5-7-22(23)28(36(31,32)19-12-10-18(35-3)11-13-19)16-24(29)27-17-9-14-21(26)20(15-17)25(30)33-2/h5-15H,4,16H2,1-3H3,(H,27,29)