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

Systemtic Name: 2-methoxyethyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-methoxyethyl ester Formula: C28H29ClN2O8S2 MolecularWeight: 621.12146

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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)OCCOC)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)OCCOC)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C28H29ClN2O8S2/c1-4-25(41(36,37)20-11-9-19(40-3)10-12-20)27(34)30-22-16-24(32)23(15-21(22)29)31-26(33)17-5-7-18(8-6-17)28(35)39-14-13-38-2/h5-12,15-16,25,32H,4,13-14H2,1-3H3,(H,30,34)(H,31,33)