(2-quinolin-2-ylcyclohexen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-quinolin-2-ylcyclohexen-1-yl) 4-methylbenzenesulfonate Openeye Name: [2-(2-quinolyl)cyclohexen-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-quinolinyl)-1-cyclohexenyl] ester IUPAC Name: (2-quinolin-2-ylcyclohexen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-quinolyl)cyclohexen-1-yl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(CCCC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(CCCC2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21NO3S/c1-16-10-13-18(14-11-16)27(24,25)26-22-9-5-3-7-19(22)21-15-12-17-6-2-4-8-20(17)23-21/h2,4,6,8,10-15H,3,5,7,9H2,1H3