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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-nitro-benzenesulfonamide Formula: C13H11BrN2O4S MolecularWeight: 371.20644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN2O4S/c1-9-5-6-13(12(14)7-9)15-21(19,20)11-4-2-3-10(8-11)16(17)18/h2-8,15H,1H3