(3-fluorophenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (3-fluorophenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (3-fluorophenyl)methyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (3-fluorobenzyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO4S/c1-15-6-2-3-11-22(15)27(24,25)19-10-5-8-17(13-19)20(23)26-14-16-7-4-9-18(21)12-16/h4-5,7-10,12-13,15H,2-3,6,11,14H2,1H3/t15-/m0/s1