N-(4-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-[2-keto-2-(4-methylpiperidino)ethyl]isoquinoline-5-sulfonamide Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H24FN3O3S/c1-17-10-13-26(14-11-17)23(28)16-27(20-7-5-19(24)6-8-20)31(29,30)22-4-2-3-18-15-25-12-9-21(18)22/h2-9,12,15,17H,10-11,13-14,16H2,1H3