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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCOC1=CC=C(C=C1)F)C2CCNC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C(CCCOC1=CC=C(C=C1)F)C2CCNC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

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