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

Systemtic Name: 2-oxidanylidenepropyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: acetonyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid acetonyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C

InChI

InChI=1S/C16H21NO5S/c1-12-6-3-4-9-17(12)23(20,21)15-8-5-7-14(10-15)16(19)22-11-13(2)18/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3/t12-/m0/s1