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

Systemtic Name: phenacyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: phenacyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid phenacyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-16-8-5-6-13-22(16)28(25,26)19-12-7-11-18(14-19)21(24)27-15-20(23)17-9-3-2-4-10-17/h2-4,7,9-12,14,16H,5-6,8,13,15H2,1H3/t16-/m0/s1