3-(4-fluoranylphenoxy)-N-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl]-N-methyl-propan-1-amine

Systemtic Name: 3-(4-fluoranylphenoxy)-N-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl]-N-methyl-propan-1-amine Openeye Name: 3-(4-fluorophenoxy)-N-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]methyl]-N-methyl-propan-1-amine CAS Name: 3-(4-fluorophenoxy)-N-[[1-(5-isoquinolinylsulfonyl)-4-piperidinyl]methyl]-N-methyl-1-propanamine IUPAC Name: 3-(4-fluorophenoxy)-N-[(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)methyl]-N-methylpropan-1-amine Traditional Name: 3-(4-fluorophenoxy)propyl-[[1-(5-isoquinolylsulfonyl)-4-piperidyl]methyl]-methyl-amine Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC=C(C=C1)F)CC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CCCOC1=CC=C(C=C1)F)CC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30FN3O3S/c1-28(14-3-17-32-23-8-6-22(26)7-9-23)19-20-11-15-29(16-12-20)33(30,31)25-5-2-4-21-18-27-13-10-24(21)25/h2,4-10,13,18,20H,3,11-12,14-17,19H2,1H3