[1-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-cyanophenyl)cyclohexyl]methyl ester IUPAC Name: [1-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(4-cyanophenyl)cyclohexyl]methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23NO3S/c1-17-5-11-20(12-6-17)26(23,24)25-16-21(13-3-2-4-14-21)19-9-7-18(15-22)8-10-19/h5-12H,2-4,13-14,16H2,1H3