N-(4-bromanyl-5-methyl-1,2-oxazol-3-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(4-bromanyl-5-methyl-1,2-oxazol-3-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(4-bromo-5-methyl-isoxazol-3-yl)-4-nitro-benzenesulfonamide CAS Name: N-(4-bromo-5-methyl-3-isoxazolyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(4-bromo-5-methyl-isoxazol-3-yl)-4-nitro-benzenesulfonamide Formula: C20H16Br2N6O10S2 MolecularWeight: 724.31324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br.CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br.CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/2C10H8BrN3O5S/c2*1-6-9(11)10(12-19-6)13-20(17,18)8-4-2-7(3-5-8)14(15)16/h2*2-5H,1H3,(H,12,13)