4-[(2R,3S)-6-oxidanylidene-3-phenylmethoxy-piperidin-2-yl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[(2R,3S)-6-oxidanylidene-3-phenylmethoxy-piperidin-2-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[(2R,3S)-3-benzyloxy-6-oxo-2-piperidyl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[(2R,3S)-6-oxo-3-phenylmethoxy-2-piperidinyl]butyl ester IUPAC Name: 4-[(2R,3S)-6-oxo-3-phenylmethoxypiperidin-2-yl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[(2R,3S)-3-benzoxy-6-keto-2-piperidyl]butyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2C(CCC(=O)N2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC[C@@H]2[C@H](CCC(=O)N2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO5S/c1-18-10-12-20(13-11-18)30(26,27)29-16-6-5-9-21-22(14-15-23(25)24-21)28-17-19-7-3-2-4-8-19/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3,(H,24,25)/t21-,22+/m1/s1