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

Systemtic Name: methyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[5-chloro-2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxopropyl]amino]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylpropanoylamino]phenyl]carbamoyl]benzoic acid methyl ester Formula: C25H23ClN2O7S2 MolecularWeight: 563.04232

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)SC

Isomeric SMILES

CC(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)SC

InChI

InChI=1S/C25H23ClN2O7S2/c1-14(37(33,34)18-10-8-17(36-3)9-11-18)23(30)27-20-13-22(29)21(12-19(20)26)28-24(31)15-4-6-16(7-5-15)25(32)35-2/h4-14,29H,1-3H3,(H,27,30)(H,28,31)