2-(1,3-benzodioxol-5-ylcarbonyl)-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide; ethyl ethanoate

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonyl)-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide; ethyl ethanoate Openeye Name: 2-(1,3-benzodioxole-5-carbonyl)-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide; ethyl acetate CAS Name: acetic acid ethyl ester; 2-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(4-bromo-3-methyl-5-isoxazolyl)-3-thiophenesulfonamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonyl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide; ethyl acetate Traditional Name: acetic acid ethyl ester; N-(4-bromo-3-methyl-isoxazol-5-yl)-2-piperonyloyl-thiophene-3-sulfonamide Formula: C20H19BrN2O8S2 MolecularWeight: 559.40746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O6S2.C4H8O2/c1-8-13(17)16(25-18-8)19-27(21,22)12-4-5-26-15(12)14(20)9-2-3-10-11(6-9)24-7-23-10;1-3-6-4(2)5/h2-6,19H,7H2,1H3;3H2,1-2H3