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

Systemtic Name: N-[[1-[4-(4-fluoranylphenoxy)butyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[[1-[4-(4-fluorophenoxy)butyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[[1-[4-(4-fluorophenoxy)butyl]-3-pyrrolidinyl]methyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[[1-[4-(4-fluorophenoxy)butyl]pyrrolidin-3-yl]methyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[[1-[4-(4-fluorophenoxy)butyl]pyrrolidin-3-yl]methyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C25H30FN3O3S MolecularWeight: 471.587403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCN(C1)CCCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1CCN(C1)CCCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30FN3O3S/c1-28(33(30,31)25-6-4-5-21-17-27-13-11-24(21)25)18-20-12-15-29(19-20)14-2-3-16-32-23-9-7-22(26)8-10-23/h4-11,13,17,20H,2-3,12,14-16,18-19H2,1H3