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

Systemtic Name: N-[4-bromanyl-2-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-bromo-2-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-bromo-2-[[(1-butyl-2-benzimidazolyl)amino]methyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-bromo-2-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-bromo-2-[[(1-butylbenzimidazol-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Formula: C25H27BrN4O2S MolecularWeight: 527.47648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1NCC3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27BrN4O2S/c1-3-4-15-30-24-8-6-5-7-23(24)28-25(30)27-17-19-16-20(26)11-14-22(19)29-33(31,32)21-12-9-18(2)10-13-21/h5-14,16,29H,3-4,15,17H2,1-2H3,(H,27,28)