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

Systemtic Name: N-[1-[2-[2-(4-fluoranylphenoxy)ethoxy]ethyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCOCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C1CCN(CC1)CCOCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30FN3O4S/c1-28(34(30,31)25-4-2-3-20-19-27-12-9-24(20)25)22-10-13-29(14-11-22)15-16-32-17-18-33-23-7-5-21(26)6-8-23/h2-9,12,19,22H,10-11,13-18H2,1H3