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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(4-bromo-3-methyl-5-isoxazolyl)-3-thiophenesulfonamide IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide Formula: C17H13BrN2O5S2 MolecularWeight: 469.32952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O5S2/c1-10-16(18)17(25-19-10)20-27(21,22)15-6-7-26-14(15)5-3-11-2-4-12-13(8-11)24-9-23-12/h2-8,20H,9H2,1H3/b5-3+