2-hydroxyethyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: 2-hydroxyethyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: 2-hydroxyethyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxopropyl]amino]anilino]-oxomethyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylpropanoylamino]phenyl]carbamoyl]benzoic acid 2-hydroxyethyl ester Formula: C26H25ClN2O8S2 MolecularWeight: 593.0683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OCCO)O)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OCCO)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H25ClN2O8S2/c1-15(39(35,36)19-9-7-18(38-2)8-10-19)24(32)28-21-14-23(31)22(13-20(21)27)29-25(33)16-3-5-17(6-4-16)26(34)37-12-11-30/h3-10,13-15,30-31H,11-12H2,1-2H3,(H,28,32)(H,29,33)