(3-fluorophenyl)methyl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (3-fluorophenyl)methyl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (3-fluorophenyl)methyl 4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (3-fluorophenyl)methyl ester IUPAC Name: (3-fluorophenyl)methyl 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzoic acid (3-fluorobenzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO5S/c1-15-6-3-4-11-23(15)29(25,26)20-13-17(9-10-19(20)27-2)21(24)28-14-16-7-5-8-18(22)12-16/h5,7-10,12-13,15H,3-4,6,11,14H2,1-2H3/t15-/m1/s1