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

Systemtic Name: 3-methylbutyl 4-[[5-chloranyl-4-[2-(4-methylsulfanylphenyl)sulfonylpropanoylamino]-2-oxidanyl-phenyl]carbamoyl]benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C29H31ClN2O7S2 MolecularWeight: 619.14864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=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

CC(C)CCOC(=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/C29H31ClN2O7S2/c1-17(2)13-14-39-29(36)20-7-5-19(6-8-20)28(35)32-25-15-23(30)24(16-26(25)33)31-27(34)18(3)41(37,38)22-11-9-21(40-4)10-12-22/h5-12,15-18,33H,13-14H2,1-4H3,(H,31,34)(H,32,35)