2-ethoxyethyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: 2-ethoxyethyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: 2-ethoxyethyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]anilino]-oxomethyl]benzoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]carbamoyl]benzoic acid 2-ethoxyethyl ester Formula: C29H31ClN2O8S2 MolecularWeight: 635.14804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O8S2/c1-4-26(42(37,38)21-12-10-20(41-3)11-13-21)28(35)31-23-17-25(33)24(16-22(23)30)32-27(34)18-6-8-19(9-7-18)29(36)40-15-14-39-5-2/h6-13,16-17,26,33H,4-5,14-15H2,1-3H3,(H,31,35)(H,32,34)