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

Systemtic Name: N-[[1-[3-(4-fluoranylphenoxy)propyl]piperidin-4-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[1-[3-(4-fluorophenoxy)propyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[1-[3-(4-fluorophenoxy)propyl]-4-piperidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[1-[3-(4-fluorophenoxy)propyl]-4-piperidyl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(CC1)CCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(CC1)CCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

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