(5-methyl-1,2-oxazol-3-yl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-13-6-3-4-9-20(13)26(22,23)17-8-5-7-15(11-17)18(21)24-12-16-10-14(2)25-19-16/h5,7-8,10-11,13H,3-4,6,9,12H2,1-2H3/t13-/m0/s1