(5-chloranyl-7-iodanyl-quinolin-8-yl) 2-acetamidobenzenesulfonate

Systemtic Name: (5-chloranyl-7-iodanyl-quinolin-8-yl) 2-acetamidobenzenesulfonate Openeye Name: (5-chloro-7-iodo-8-quinolyl) 2-acetamidobenzenesulfonate CAS Name: 2-acetamidobenzenesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate Traditional Name: 2-acetamidobenzenesulfonic acid (5-chloro-7-iodo-8-quinolyl) ester Formula: C17H12ClIN2O4S MolecularWeight: 502.71065

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I

Isomeric SMILES

CC(=O)NC1=CC=CC=C1S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I

InChI

InChI=1S/C17H12ClIN2O4S/c1-10(22)21-14-6-2-3-7-15(14)26(23,24)25-17-13(19)9-12(18)11-5-4-8-20-16(11)17/h2-9H,1H3,(H,21,22)