(2-methylquinolin-8-yl) 4-tert-butylbenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-tert-butylbenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C=C1

InChI

InChI=1S/C20H21NO3S/c1-14-8-9-15-6-5-7-18(19(15)21-14)24-25(22,23)17-12-10-16(11-13-17)20(2,3)4/h5-13H,1-4H3