(7-chloranylquinolin-4-yl) azepane-1-sulfonate

Systemtic Name: (7-chloranylquinolin-4-yl) azepane-1-sulfonate Openeye Name: (7-chloro-4-quinolyl) azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid (7-chloro-4-quinolinyl) ester IUPAC Name: (7-chloroquinolin-4-yl) azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid (7-chloro-4-quinolyl) ester Formula: C15H17ClN2O3S MolecularWeight: 340.82508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)OC2=C3C=CC(=CC3=NC=C2)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)OC2=C3C=CC(=CC3=NC=C2)Cl

InChI

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