N-[5-(4-fluorophenyl)-1-piperidin-4-yl-pentyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[5-(4-fluorophenyl)-1-piperidin-4-yl-pentyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[5-(4-fluorophenyl)-1-(4-piperidyl)pentyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[5-(4-fluorophenyl)-1-(4-piperidinyl)pentyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[5-(4-fluorophenyl)-1-piperidin-4-ylpentyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[5-(4-fluorophenyl)-1-(4-piperidyl)pentyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C26H32FN3O2S MolecularWeight: 469.614583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCCC1=CC=C(C=C1)F)C2CCNCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C(CCCCC1=CC=C(C=C1)F)C2CCNCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H32FN3O2S/c1-30(33(31,32)26-8-4-6-22-19-29-18-15-24(22)26)25(21-13-16-28-17-14-21)7-3-2-5-20-9-11-23(27)12-10-20/h4,6,8-12,15,18-19,21,25,28H,2-3,5,7,13-14,16-17H2,1H3