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

Systemtic Name: N-ethyl-N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide Openeye Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide CAS Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]-5-isoquinolinesulfonamide IUPAC Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide Traditional Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide Formula: C26H32FN3O3S MolecularWeight: 485.613983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O3S/c1-2-30(34(31,32)26-7-5-6-21-20-28-15-12-25(21)26)23-13-17-29(18-14-23)16-3-4-19-33-24-10-8-22(27)9-11-24/h5-12,15,20,23H,2-4,13-14,16-19H2,1H3