[(3S)-1-(phenylcarbonyl)piperidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-1-(phenylcarbonyl)piperidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S)-1-benzoyl-3-piperidyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-1-benzoyl-3-piperidinyl] ester IUPAC Name: [(3S)-1-benzoylpiperidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-1-benzoyl-3-piperidyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCN(C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c1-15-9-11-18(12-10-15)25(22,23)24-17-8-5-13-20(14-17)19(21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1