N-[5-(4-fluorophenyl)-5-oxidanylidene-1-piperidin-4-yl-pentyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[5-(4-fluorophenyl)-5-oxidanylidene-1-piperidin-4-yl-pentyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[5-(4-fluorophenyl)-5-oxo-1-(4-piperidyl)pentyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[5-(4-fluorophenyl)-5-oxo-1-(4-piperidinyl)pentyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[5-(4-fluorophenyl)-5-oxo-1-piperidin-4-ylpentyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[5-(4-fluorophenyl)-5-keto-1-(4-piperidyl)pentyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C26H30FN3O3S MolecularWeight: 483.598103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN3O3S/c1-30(34(32,33)26-7-2-4-21-18-29-17-14-23(21)26)24(19-12-15-28-16-13-19)5-3-6-25(31)20-8-10-22(27)11-9-20/h2,4,7-11,14,17-19,24,28H,3,5-6,12-13,15-16H2,1H3