N-(3-bromanylpropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide

Systemtic Name: N-(3-bromanylpropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide Openeye Name: N-(3-bromopropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide CAS Name: N-(3-bromopropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide IUPAC Name: N-(3-bromopropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenesulfonamide Traditional Name: N-(3-bromopropyl)-4-methyl-N-(4-nosylphenyl)benzenesulfonamide Formula: C22H21BrN2O6S2 MolecularWeight: 553.44594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O6S2/c1-17-3-9-22(10-4-17)33(30,31)24(16-2-15-23)18-5-11-20(12-6-18)32(28,29)21-13-7-19(8-14-21)25(26)27/h3-14H,2,15-16H2,1H3