N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]isoquinoline-5-sulfonamide Formula: C25H19N5O2S MolecularWeight: 453.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N=C1CC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)N=C1CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H19N5O2S/c1-30-23-10-9-20(14-22(23)28-25(30)13-17-5-7-18(15-26)8-6-17)29-33(31,32)24-4-2-3-19-16-27-12-11-21(19)24/h2-12,14,16,29H,13H2,1H3