butan-2-yl 4-[[4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate

Systemtic Name: butan-2-yl 4-[[4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: sec-butyl 4-[[2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]carbamoyl]benzoate CAS Name: 4-[[2-hydroxy-4-[[2-[4-(methylthio)phenyl]sulfonyl-1-oxopropyl]amino]anilino]-oxomethyl]benzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-[[2-hydroxy-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]phenyl]carbamoyl]benzoate Traditional Name: 4-[[2-hydroxy-4-[2-[4-(methylthio)phenyl]sulfonylpropanoylamino]phenyl]carbamoyl]benzoic acid sec-butyl ester Formula: C28H30N2O7S2 MolecularWeight: 570.677

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CCC(C)OC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C)S(=O)(=O)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C28H30N2O7S2/c1-5-17(2)37-28(34)20-8-6-19(7-9-20)27(33)30-24-15-10-21(16-25(24)31)29-26(32)18(3)39(35,36)23-13-11-22(38-4)12-14-23/h6-18,31H,5H2,1-4H3,(H,29,32)(H,30,33)