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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)Br)C)[N+](=O)[O-]

InChI

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