2-[4-bromanyl-2-(6-methyl-1,3-benzodioxol-5-yl)butanoyl]-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

Systemtic Name: 2-[4-bromanyl-2-(6-methyl-1,3-benzodioxol-5-yl)butanoyl]-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Openeye Name: 2-[4-bromo-2-(6-methyl-1,3-benzodioxol-5-yl)butanoyl]-N-(4-chloro-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide CAS Name: 2-[4-bromo-2-(6-methyl-1,3-benzodioxol-5-yl)-1-oxobutyl]-N-(4-chloro-3-methyl-5-isoxazolyl)-3-thiophenesulfonamide IUPAC Name: 2-[4-bromo-2-(6-methyl-1,3-benzodioxol-5-yl)butanoyl]-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Traditional Name: 2-[4-bromo-2-(6-methyl-1,3-benzodioxol-5-yl)butanoyl]-N-(4-chloro-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide Formula: C20H18BrClN2O6S2 MolecularWeight: 561.85372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(CCBr)C(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(CCBr)C(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2

InChI

InChI=1S/C20H18BrClN2O6S2/c1-10-7-14-15(29-9-28-14)8-13(10)12(3-5-21)18(25)19-16(4-6-31-19)32(26,27)24-20-17(22)11(2)23-30-20/h4,6-8,12,24H,3,5,9H2,1-2H3