[(1S,2S)-2-pyridin-2-ylcyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-pyridin-2-ylcyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-(2-pyridyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-(2-pyridinyl)cyclohexyl] ester IUPAC Name: [(1S,2S)-2-pyridin-2-ylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-(2-pyridyl)cyclohexyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCCC[C@H]2C3=CC=CC=N3

InChI

InChI=1S/C18H21NO3S/c1-14-9-11-15(12-10-14)23(20,21)22-18-8-3-2-6-16(18)17-7-4-5-13-19-17/h4-5,7,9-13,16,18H,2-3,6,8H2,1H3/t16-,18-/m0/s1