N-(3-bromanyl-3-methyl-2H-1,2-oxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide

Systemtic Name: N-(3-bromanyl-3-methyl-2H-1,2-oxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide Openeye Name: N-(3-bromo-3-methyl-2H-isoxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide CAS Name: N-(3-bromo-3-methyl-2H-isoxazol-5-yl)-5-pent-1-ynyl-2-thiophenesulfonamide IUPAC Name: N-(3-bromo-3-methyl-2H-1,2-oxazol-5-yl)-5-pent-1-ynylthiophene-2-sulfonamide Traditional Name: N-(3-bromo-3-methyl-4-isoxazolin-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide Formula: C13H15BrN2O3S2 MolecularWeight: 391.3038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC=C(S1)S(=O)(=O)NC2=CC(NO2)(C)Br

Isomeric SMILES

CCCC#CC1=CC=C(S1)S(=O)(=O)NC2=CC(NO2)(C)Br

InChI

InChI=1S/C13H15BrN2O3S2/c1-3-4-5-6-10-7-8-12(20-10)21(17,18)15-11-9-13(2,14)16-19-11/h7-9,15-16H,3-4H2,1-2H3