N-(4-fluorophenyl)-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-[2-oxo-2-(1-piperidyl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-oxo-2-(1-piperidinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)isoquinoline-5-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-(2-keto-2-piperidino-ethyl)isoquinoline-5-sulfonamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H22FN3O3S/c23-18-7-9-19(10-8-18)26(16-22(27)25-13-2-1-3-14-25)30(28,29)21-6-4-5-17-15-24-12-11-20(17)21/h4-12,15H,1-3,13-14,16H2