N-[1-[4-(3-fluoranylphenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride

Systemtic Name: N-[1-[4-(3-fluoranylphenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[1-[4-(3-fluorophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[1-[4-(3-fluorophenoxy)butyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[1-[4-(3-fluorophenoxy)butyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[1-[4-(3-fluorophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride Formula: C25H32Cl2FN3O3S MolecularWeight: 544.509283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl.Cl

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl.Cl

InChI

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