(5-chloranylquinolin-8-yl) azepane-1-sulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) azepane-1-sulfonate Openeye Name: (5-chloro-8-quinolyl) azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid (5-chloro-8-quinolyl) ester Formula: C15H17ClN2O3S MolecularWeight: 340.82508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C15H17ClN2O3S/c16-13-7-8-14(15-12(13)6-5-9-17-15)21-22(19,20)18-10-3-1-2-4-11-18/h5-9H,1-4,10-11H2