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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(methylsulfonylaminomethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-(methanesulfonamidomethyl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(methanesulfonamidomethyl)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-(methanesulfonamidomethyl)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-(methanesulfonamidomethyl)quinolizine-3-carboxylic acid Formula: C19H16ClFN2O5S MolecularWeight: 438.857143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CS(=O)(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C19H16ClFN2O5S/c1-29(27,28)22-9-13-8-14(19(25)26)18(24)23-10-11(5-6-16(13)23)7-12-3-2-4-15(20)17(12)21/h2-6,8,10,22H,7,9H2,1H3,(H,25,26)