N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide Openeye Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide CAS Name: N-(4-bromo-3-methyl-5-isoxazolyl)-5-pent-1-ynyl-2-thiophenesulfonamide IUPAC Name: N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-pent-1-ynylthiophene-2-sulfonamide Traditional Name: N-(4-bromo-3-methyl-isoxazol-5-yl)-5-pent-1-ynyl-thiophene-2-sulfonamide Formula: C13H13BrN2O3S2 MolecularWeight: 389.28792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O3S2/c1-3-4-5-6-10-7-8-11(20-10)21(17,18)16-13-12(14)9(2)15-19-13/h7-8,16H,3-4H2,1-2H3