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

Systemtic Name: N-ethyl-N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-ethyl-N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide dihydrochloride Formula: C26H34Cl2FN3O3S MolecularWeight: 558.535863

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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.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H32FN3O3S.2ClH/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;2*1H