(2-methylquinolin-8-yl) 4-cyclohexylbenzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-cyclohexylbenzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-cyclohexylbenzenesulfonate CAS Name: 4-cyclohexylbenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-cyclohexylbenzenesulfonate Traditional Name: 4-cyclohexylbenzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C4CCCCC4)C=C1

InChI

InChI=1S/C22H23NO3S/c1-16-10-11-19-8-5-9-21(22(19)23-16)26-27(24,25)20-14-12-18(13-15-20)17-6-3-2-4-7-17/h5,8-15,17H,2-4,6-7H2,1H3