N-(2-bromoethyl)-4-methyl-N-[2-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide

Systemtic Name: N-(2-bromoethyl)-4-methyl-N-[2-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide Openeye Name: N-(2-bromoethyl)-4-methyl-N-[2-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide CAS Name: N-(2-bromoethyl)-4-methyl-N-[2-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide IUPAC Name: N-(2-bromoethyl)-4-methyl-N-[2-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide Traditional Name: N-(2-bromoethyl)-4-methyl-N-(2-nosylphenyl)benzenesulfonamide Formula: C21H19BrN2O6S2 MolecularWeight: 539.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCBr)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19BrN2O6S2/c1-16-6-10-19(11-7-16)32(29,30)23(15-14-22)20-4-2-3-5-21(20)31(27,28)18-12-8-17(9-13-18)24(25)26/h2-13H,14-15H2,1H3