N-[[1-[3-(4-fluoranylphenoxy)propyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[[1-[3-(4-fluoranylphenoxy)propyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[1-[3-(4-fluorophenoxy)propyl]-3-pyrrolidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C24H28FN3O3S MolecularWeight: 457.560823

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(C1)CCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(C1)CCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H28FN3O3S/c1-27(32(29,30)24-5-2-4-20-16-26-12-10-23(20)24)17-19-11-14-28(18-19)13-3-15-31-22-8-6-21(25)7-9-22/h2,4-10,12,16,19H,3,11,13-15,17-18H2,1H3