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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCOC1=CC=C(C=C1)F)C2CCNCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(C(CCCOC1=CC=C(C=C1)F)C2CCNCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H30FN3O3S/c1-29(33(30,31)25-6-2-4-20-18-28-16-13-23(20)25)24(19-11-14-27-15-12-19)5-3-17-32-22-9-7-21(26)8-10-22/h2,4,6-10,13,16,18-19,24,27H,3,5,11-12,14-15,17H2,1H3