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

Systemtic Name: butan-2-yl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C29H31ClN2O7S2 MolecularWeight: 619.14864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CC)S(=O)(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CCC(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CC)S(=O)(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C29H31ClN2O7S2/c1-5-17(3)39-29(36)19-9-7-18(8-10-19)27(34)32-24-15-22(30)23(16-25(24)33)31-28(35)26(6-2)41(37,38)21-13-11-20(40-4)12-14-21/h7-17,26,33H,5-6H2,1-4H3,(H,31,35)(H,32,34)