5-[5-(3H-benzimidazol-5-yl)hexylsulfonyl]isoquinoline

Systemtic Name: 5-[5-(3H-benzimidazol-5-yl)hexylsulfonyl]isoquinoline Openeye Name: 5-[5-(3H-benzimidazol-5-yl)hexylsulfonyl]isoquinoline CAS Name: 5-[5-(3H-benzimidazol-5-yl)hexylsulfonyl]isoquinoline IUPAC Name: 5-[5-(3H-benzimidazol-5-yl)hexylsulfonyl]isoquinoline Traditional Name: 5-[5-(3H-benzimidazol-5-yl)hexylsulfonyl]isoquinoline Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCS(=O)(=O)C1=CC=CC2=C1C=CN=C2)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(CCCCS(=O)(=O)C1=CC=CC2=C1C=CN=C2)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C22H23N3O2S/c1-16(17-8-9-20-21(13-17)25-15-24-20)5-2-3-12-28(26,27)22-7-4-6-18-14-23-11-10-19(18)22/h4,6-11,13-16H,2-3,5,12H2,1H3,(H,24,25)