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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)CCCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(CC1)CCCCC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

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