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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(4-bromo-3-methyl-5-isoxazolyl)-3-thiophenesulfonamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide Formula: C17H13BrN2O6S2 MolecularWeight: 485.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(SC=C2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(SC=C2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13BrN2O6S2/c1-9-15(18)17(26-19-9)20-28(22,23)14-4-5-27-16(14)11(21)6-10-2-3-12-13(7-10)25-8-24-12/h2-5,7,20H,6,8H2,1H3