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

Systemtic Name: [4-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-cyanophenyl)cyclohexyl]methyl ester IUPAC Name: [4-(4-cyanophenyl)cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(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)OCC2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23NO3S/c1-16-2-12-21(13-3-16)26(23,24)25-15-18-6-10-20(11-7-18)19-8-4-17(14-22)5-9-19/h2-5,8-9,12-13,18,20H,6-7,10-11,15H2,1H3