2-(1,3-benzodioxol-5-yl)-2-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-N-thiophen-3-ylsulfonyl-ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-N-thiophen-3-ylsulfonyl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(4-bromo-3-methyl-isoxazol-5-yl)-N-(3-thienylsulfonyl)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(4-bromo-3-methyl-5-isoxazolyl)-N-(3-thiophenylsulfonyl)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(4-bromo-3-methyl-1,2-oxazol-5-yl)-N-thiophen-3-ylsulfonylacetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-bromo-3-methyl-isoxazol-5-yl)-N-(3-thienylsulfonyl)acetamide Formula: C17H13BrN2O6S2 MolecularWeight: 485.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)C(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CSC=C4

Isomeric SMILES

CC1=NOC(=C1Br)C(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CSC=C4

InChI

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