[5,7-bis(chloranyl)quinolin-8-yl] azepane-1-sulfonate

Systemtic Name: [5,7-bis(chloranyl)quinolin-8-yl] azepane-1-sulfonate Openeye Name: (5,7-dichloro-8-quinolyl) azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid (5,7-dichloro-8-quinolinyl) ester IUPAC Name: (5,7-dichloroquinolin-8-yl) azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid (5,7-dichloro-8-quinolyl) ester Formula: C15H16Cl2N2O3S MolecularWeight: 375.27014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl

InChI

InChI=1S/C15H16Cl2N2O3S/c16-12-10-13(17)15(14-11(12)6-5-7-18-14)22-23(20,21)19-8-3-1-2-4-9-19/h5-7,10H,1-4,8-9H2