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

Systemtic Name: butyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C28H29ClN2O7S2 MolecularWeight: 605.12206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C28H29ClN2O7S2/c1-4-5-14-38-28(35)19-8-6-18(7-9-19)27(34)31-24-15-22(29)23(16-25(24)32)30-26(33)17(2)40(36,37)21-12-10-20(39-3)11-13-21/h6-13,15-17,32H,4-5,14H2,1-3H3,(H,30,33)(H,31,34)