quinolin-8-yl 5-tert-butyl-2,3-dimethyl-benzenesulfonate

Systemtic Name: quinolin-8-yl 5-tert-butyl-2,3-dimethyl-benzenesulfonate Openeye Name: 8-quinolyl 5-tert-butyl-2,3-dimethyl-benzenesulfonate CAS Name: 5-tert-butyl-2,3-dimethylbenzenesulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 5-tert-butyl-2,3-dimethylbenzenesulfonate Traditional Name: 5-tert-butyl-2,3-dimethyl-benzenesulfonic acid 8-quinolyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3)C

InChI

InChI=1S/C21H23NO3S/c1-14-12-17(21(3,4)5)13-19(15(14)2)26(23,24)25-18-10-6-8-16-9-7-11-22-20(16)18/h6-13H,1-5H3