7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(methylsulfonylamino)-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(methylsulfonylamino)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-(methanesulfonamido)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(methanesulfonamido)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(methanesulfonamido)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-(methanesulfonamido)quinolizine-3-carboxylic acid Formula: C18H14ClFN2O5S MolecularWeight: 424.830563

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CS(=O)(=O)NC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C18H14ClFN2O5S/c1-28(26,27)21-14-8-12(18(24)25)17(23)22-9-10(5-6-15(14)22)7-11-3-2-4-13(19)16(11)20/h2-6,8-9,21H,7H2,1H3,(H,24,25)