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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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