N-(4-bromanyl-3-methyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C13H11BrN2O5S MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])Br

InChI

InChI=1S/C13H11BrN2O5S/c1-8-6-9(2-4-11(8)14)15-22(20,21)10-3-5-13(17)12(7-10)16(18)19/h2-7,15,17H,1H3