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

Systemtic Name: N-[1-[4-(4-fluoranylphenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[1-[4-(4-fluorophenoxy)butyl]piperidin-4-yl]isoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[1-[4-(4-fluorophenoxy)butyl]-4-piperidyl]isoquinoline-5-sulfonamide dihydrochloride Formula: C24H30Cl2FN3O3S MolecularWeight: 530.482703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCCCOC4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CCCCOC4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C24H28FN3O3S.2ClH/c25-20-6-8-22(9-7-20)31-17-2-1-14-28-15-11-21(12-16-28)27-32(29,30)24-5-3-4-19-18-26-13-10-23(19)24;;/h3-10,13,18,21,27H,1-2,11-12,14-17H2;2*1H