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

Systemtic Name: N-[2-[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidinyl]ethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]ethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCN(CC1)CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CCC1CCN(CC1)CCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

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