(5-chloranylquinolin-8-yl) 4-acetamidobenzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-acetamidobenzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C17H13ClN2O4S/c1-11(21)20-12-4-6-13(7-5-12)25(22,23)24-16-9-8-15(18)14-3-2-10-19-17(14)16/h2-10H,1H3,(H,20,21)