[2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-yl] ester IUPAC Name: [2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinolin-5-yl] ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC3=C2C=CC(=N3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC3=C2C=CC(=N3)C#CC4=CC=CC=C4

InChI

InChI=1S/C24H21NO3S/c1-18-10-15-21(16-11-18)29(26,27)28-24-9-5-8-23-22(24)17-14-20(25-23)13-12-19-6-3-2-4-7-19/h2-4,6-7,10-11,14-17,24H,5,8-9H2,1H3