[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H23NO4S/c1-16-10-12-18(13-11-16)26(23,24)25-19(17-8-4-2-5-9-17)20(22)21-14-6-3-7-15-21/h2,4-5,8-13,19H,3,6-7,14-15H2,1H3/t19-/m0/s1