N-(4-bromanyl-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-3-nitro-benzenesulfonamide Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C14H13BrN2O4S/c1-9-6-11(15)7-10(2)14(9)16-22(20,21)13-5-3-4-12(8-13)17(18)19/h3-8,16H,1-2H3