6-[3-[1-(5-fluoranylpyridin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-[3-[1-(5-fluoranylpyridin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 6-[3-[1-(5-fluoro-2-pyridyl)-4-piperidyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 6-[3-[1-(5-fluoro-2-pyridinyl)-4-piperidinyl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-[3-[1-(5-fluoropyridin-2-yl)piperidin-4-yl]propoxy]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 6-[3-[1-(5-fluoro-2-pyridyl)-4-piperidyl]propoxy]-2-mesyl-3,4-dihydro-1H-isoquinoline Formula: C23H30FN3O3S MolecularWeight: 447.566003

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=CC(=C2)OCCCC3CCN(CC3)C4=NC=C(C=C4)F

InChI

InChI=1S/C23H30FN3O3S/c1-31(28,29)27-13-10-19-15-22(6-4-20(19)17-27)30-14-2-3-18-8-11-26(12-9-18)23-7-5-21(24)16-25-23/h4-7,15-16,18H,2-3,8-14,17H2,1H3