N-[2-[[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]methyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]methyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[[(3,5-dibromopyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[[(3,5-dibromo-2-pyridin-1-iumyl)amino]methyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[[(3,5-dibromopyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[[(3,5-dibromopyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Formula: C19H18Br2N3O2S+ MolecularWeight: 512.23812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=C(C=C(C=[NH+]3)Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=C(C=C(C=[NH+]3)Br)Br

InChI

InChI=1S/C19H17Br2N3O2S/c1-13-6-8-16(9-7-13)27(25,26)24-18-5-3-2-4-14(18)11-22-19-17(21)10-15(20)12-23-19/h2-10,12,24H,11H2,1H3,(H,22,23)/p+1