3-(3-bromanyl-6-fluoranyl-2-methyl-indol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide; 5-methyl-1,2-oxazol-3-one

Systemtic Name: 3-(3-bromanyl-6-fluoranyl-2-methyl-indol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide; 5-methyl-1,2-oxazol-3-one Openeye Name: 3-(3-bromo-6-fluoro-2-methyl-indol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide; 5-methylisoxazol-3-one CAS Name: 3-[(3-bromo-6-fluoro-2-methyl-1-indolyl)sulfonyl]-N,N-dimethyl-1,2,4-triazole-1-sulfonamide; 5-methyl-3-isoxazolone IUPAC Name: 3-(3-bromo-6-fluoro-2-methylindol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide; 5-methyl-1,2-oxazol-3-one Traditional Name: 3-(3-bromo-6-fluoro-2-methyl-indol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide; 5-methyl-4-isoxazolin-3-one Formula: C17H18BrFN6O6S2 MolecularWeight: 565.393823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NO1.CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br

Isomeric SMILES

CC1=CC(=O)NO1.CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)Br

InChI

InChI=1S/C13H13BrFN5O4S2.C4H5NO2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3;1-3-2-4(6)5-7-3/h4-7H,1-3H3;2H,1H3,(H,5,6)