ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanoate

Systemtic Name: ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanoate Openeye Name: ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]propanoate CAS Name: 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]propionic acid ethyl ester Formula: C23H28FNO5S MolecularWeight: 449.535523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FNO5S/c1-3-30-23(26)16-22(17-4-6-19(24)7-5-17)18-12-14-25(15-13-18)31(27,28)21-10-8-20(29-2)9-11-21/h4-11,18,22H,3,12-16H2,1-2H3