methyl 3-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 3-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate CAS Name: 3-[[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 3-[[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C26H25ClN2O7S2 MolecularWeight: 577.0689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O7S2/c1-4-23(38(34,35)18-10-8-17(37-3)9-11-18)25(32)28-20-14-22(30)21(13-19(20)27)29-24(31)15-6-5-7-16(12-15)26(33)36-2/h5-14,23,30H,4H2,1-3H3,(H,28,32)(H,29,31)