(2-methylquinolin-8-yl) azepane-1-sulfonate

Systemtic Name: (2-methylquinolin-8-yl) azepane-1-sulfonate Openeye Name: (2-methyl-8-quinolyl) azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid (2-methyl-8-quinolyl) ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)N3CCCCCC3)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)N3CCCCCC3)C=C1

InChI

InChI=1S/C16H20N2O3S/c1-13-9-10-14-7-6-8-15(16(14)17-13)21-22(19,20)18-11-4-2-3-5-12-18/h6-10H,2-5,11-12H2,1H3