N-[4-[1-(2-fluoranylphenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride

Systemtic Name: N-[4-[1-(2-fluoranylphenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[4-[1-(2-fluorophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[4-[1-(2-fluorophenoxy)butyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[4-[1-(2-fluorophenoxy)butyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[4-[1-(2-fluorophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride Formula: C25H32Cl2FN3O3S MolecularWeight: 544.509283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1(CCNCC1)N(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)OC4=CC=CC=C4F.Cl.Cl

Isomeric SMILES

CCCC(C1(CCNCC1)N(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)OC4=CC=CC=C4F.Cl.Cl

InChI

InChI=1S/C25H30FN3O3S.2ClH/c1-3-7-24(32-22-10-5-4-9-21(22)26)25(13-16-27-17-14-25)29(2)33(30,31)23-11-6-8-19-18-28-15-12-20(19)23;;/h4-6,8-12,15,18,24,27H,3,7,13-14,16-17H2,1-2H3;2*1H