(3-fluoranyl-4-methoxy-phenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H24FNO5S/c1-15-6-3-4-11-23(15)29(25,26)18-8-5-7-17(13-18)21(24)28-14-16-9-10-20(27-2)19(22)12-16/h5,7-10,12-13,15H,3-4,6,11,14H2,1-2H3/t15-/m0/s1