3-[(2R)-6-oxidanylidenepiperidin-2-yl]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(2R)-6-oxidanylidenepiperidin-2-yl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(2R)-6-oxo-2-piperidyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(2R)-6-oxo-2-piperidinyl]propyl ester IUPAC Name: 3-[(2R)-6-oxopiperidin-2-yl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(2R)-6-keto-2-piperidyl]propyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CCCC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@H]2CCCC(=O)N2

InChI

InChI=1S/C15H21NO4S/c1-12-7-9-14(10-8-12)21(18,19)20-11-3-5-13-4-2-6-15(17)16-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)/t13-/m1/s1