methyl 4-[[5-chloranyl-4-[2-(4-cyclohexylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-chloranyl-4-[2-(4-cyclohexylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-4-[2-(4-cyclohexylsulfanylphenyl)sulfonylbutanoylamino]-2-hydroxy-phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-4-[[2-[4-(cyclohexylthio)phenyl]sulfonyl-1-oxobutyl]amino]-2-hydroxyanilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-4-[2-(4-cyclohexylsulfanylphenyl)sulfonylbutanoylamino]-2-hydroxyphenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-4-[2-[4-(cyclohexylthio)phenyl]sulfonylbutanoylamino]-2-hydroxy-phenyl]carbamoyl]benzoic acid methyl ester Formula: C31H33ClN2O7S2 MolecularWeight: 645.18592

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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)O)S(=O)(=O)C3=CC=C(C=C3)SC4CCCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=C(C=C3)SC4CCCCC4

InChI

InChI=1S/C31H33ClN2O7S2/c1-3-28(43(39,40)23-15-13-22(14-16-23)42-21-7-5-4-6-8-21)30(37)33-25-18-27(35)26(17-24(25)32)34-29(36)19-9-11-20(12-10-19)31(38)41-2/h9-18,21,28,35H,3-8H2,1-2H3,(H,33,37)(H,34,36)