N-[4-bromanyl-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-bromo-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-bromo-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-bromo-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-bromo-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)CNC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)CNC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C22H21BrN4O2S/c1-15-7-10-18(11-8-15)30(28,29)26-19-12-9-17(23)13-16(19)14-24-22-25-20-5-3-4-6-21(20)27(22)2/h3-13,26H,14H2,1-2H3,(H,24,25)