ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanoate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(3-pyridylmethyl)-4-piperidyl]acetate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(3-pyridinylmethyl)-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(3-pyridylmethyl)-4-piperidyl]acetic acid ethyl ester Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCN(CC1)CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC1(CCN(CC1)CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-2-28-20(25)14-21(29(26,27)19-7-5-18(22)6-8-19)9-12-24(13-10-21)16-17-4-3-11-23-15-17/h3-8,11,15H,2,9-10,12-14,16H2,1H3