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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C26H27ClN2O6S2 MolecularWeight: 563.08538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O6S2/c1-4-34-24-9-7-6-8-23(24)29(37(32,33)20-13-11-19(36-3)12-14-20)17-25(30)28-22-15-10-18(16-21(22)27)26(31)35-5-2/h6-16H,4-5,17H2,1-3H3,(H,28,30)