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

Systemtic Name: N-(3-bromanylpropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]benzenesulfonamide Openeye Name: N-(3-bromopropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]benzenesulfonamide CAS Name: N-(3-bromopropyl)-4-methyl-N-[4-[(4-nitrophenyl)thio]phenyl]benzenesulfonamide IUPAC Name: N-(3-bromopropyl)-4-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]benzenesulfonamide Traditional Name: N-(3-bromopropyl)-4-methyl-N-[4-[(4-nitrophenyl)thio]phenyl]benzenesulfonamide Formula: C22H21BrN2O4S2 MolecularWeight: 521.44714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCBr)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCBr)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21BrN2O4S2/c1-17-3-13-22(14-4-17)31(28,29)24(16-2-15-23)18-5-9-20(10-6-18)30-21-11-7-19(8-12-21)25(26)27/h3-14H,2,15-16H2,1H3