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

Systemtic Name: 1-methoxypropan-2-yl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: (2-methoxy-1-methyl-ethyl) 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 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-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 (2-methoxy-1-methyl-ethyl) 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)OC(C)COC)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)OC(C)COC)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

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