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

Systemtic Name: methyl 4-[[4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxobutyl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylbutanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylbutanoylamino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C26H26N2O7S2 MolecularWeight: 542.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC)O)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C26H26N2O7S2/c1-4-23(37(33,34)20-12-10-19(36-3)11-13-20)25(31)27-18-9-14-21(22(29)15-18)28-24(30)16-5-7-17(8-6-16)26(32)35-2/h5-15,23,29H,4H2,1-3H3,(H,27,31)(H,28,30)