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

Systemtic Name: N-(3-bromanyl-2,5-dimethyl-4-oxidanyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-bromo-4-hydroxy-2,5-dimethyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(3-bromo-4-hydroxy-2,5-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3-bromo-4-hydroxy-2,5-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-bromo-4-hydroxy-2,5-dimethyl-phenyl)-3-nitro-benzenesulfonamide Formula: C14H13BrN2O5S MolecularWeight: 401.23242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O5S/c1-8-6-12(9(2)13(15)14(8)18)16-23(21,22)11-5-3-4-10(7-11)17(19)20/h3-7,16,18H,1-2H3