[3-[(3S)-1-propylpiperidin-3-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(3S)-1-propylpiperidin-3-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(3S)-1-propyl-3-piperidyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(3S)-1-propyl-3-piperidinyl]phenyl] ester IUPAC Name: [3-[(3S)-1-propylpiperidin-3-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(3S)-1-propyl-3-piperidyl]phenyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(C1)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1CCC[C@H](C1)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27NO3S/c1-3-13-22-14-5-7-19(16-22)18-6-4-8-20(15-18)25-26(23,24)21-11-9-17(2)10-12-21/h4,6,8-12,15,19H,3,5,7,13-14,16H2,1-2H3/t19-/m1/s1