7-[(1S,5R)-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 7-[(1S,5R)-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid Openeye Name: 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid CAS Name: 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid IUPAC Name: 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid; methanesulfonic acid Traditional Name: 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-4a,8a-dihydro-1,8-naphthyridine-3-carboxylic acid; mesylic acid Formula: C21H21F3N4O6S MolecularWeight: 514.47485

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C2C(C2N)CN1C3=NC4C(C=C3F)C(=O)C(=CN4C5=C(C=C(C=C5)F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)O.C1[C@@H]2[C@@H](C2N)CN1C3=NC4C(C=C3F)C(=O)C(=CN4C5=C(C=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C20H17F3N4O3.CH4O3S/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24;1-5(2,3)4/h1-4,7,9-11,16,18H,5-6,24H2,(H,29,30);1H3,(H,2,3,4)/t9?,10-,11+,16?,18?;