N-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-2-nitro-benzenesulfonamide Openeye Name: N-(3-bromo-4-hydroxy-5-methyl-phenyl)-2-nitro-benzenesulfonamide CAS Name: N-(3-bromo-4-hydroxy-5-methylphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(3-bromo-4-hydroxy-5-methylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(3-bromo-4-hydroxy-5-methyl-phenyl)-2-nitro-benzenesulfonamide Formula: C13H11BrN2O5S MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)Br)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)Br)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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