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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(4-bromo-3-methyl-isoxazol-5-yl)thiophene-2-sulfonamide CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(4-bromo-3-methyl-5-isoxazolyl)-2-thiophenesulfonamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-3-homopiperonyl-thiophene-2-sulfonamide Formula: C17H15BrN2O5S2 MolecularWeight: 471.3454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(C=CS2)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NOC(=C1Br)NS(=O)(=O)C2=C(C=CS2)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15BrN2O5S2/c1-10-15(18)16(25-19-10)20-27(21,22)17-12(6-7-26-17)4-2-11-3-5-13-14(8-11)24-9-23-13/h3,5-8,20H,2,4,9H2,1H3