1-(4-fluorophenyl)-5-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-5-(methylamino)pentan-1-one

Systemtic Name: 1-(4-fluorophenyl)-5-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-5-(methylamino)pentan-1-one Openeye Name: 1-(4-fluorophenyl)-5-[1-(5-isoquinolylsulfonyl)-4-piperidyl]-5-(methylamino)pentan-1-one CAS Name: 1-(4-fluorophenyl)-5-[1-(5-isoquinolinylsulfonyl)-4-piperidinyl]-5-(methylamino)-1-pentanone IUPAC Name: 1-(4-fluorophenyl)-5-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-5-(methylamino)pentan-1-one Traditional Name: 1-(4-fluorophenyl)-5-[1-(5-isoquinolylsulfonyl)-4-piperidyl]-5-(methylamino)pentan-1-one Formula: C26H30FN3O3S MolecularWeight: 483.598103

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCC(=O)C1=CC=C(C=C1)F)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CNC(CCCC(=O)C1=CC=C(C=C1)F)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

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