[5-azanyl-3-carboxyoxy-1-cyclopropyl-6,8-bis(fluoranyl)-7-imidazol-1-yl-4-oxidanylidene-quinolin-2-yl]methanesulfonic acid

Systemtic Name: [5-azanyl-3-carboxyoxy-1-cyclopropyl-6,8-bis(fluoranyl)-7-imidazol-1-yl-4-oxidanylidene-quinolin-2-yl]methanesulfonic acid Openeye Name: (5-amino-3-carboxyoxy-1-cyclopropyl-6,8-difluoro-7-imidazol-1-yl-4-oxo-2-quinolyl)methanesulfonic acid CAS Name: [5-amino-3-carboxyoxy-1-cyclopropyl-6,8-difluoro-7-(1-imidazolyl)-4-oxo-2-quinolinyl]methanesulfonic acid IUPAC Name: (5-amino-3-carboxyoxy-1-cyclopropyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinolin-2-yl)methanesulfonic acid Traditional Name: (5-amino-3-carboxyoxy-1-cyclopropyl-6,8-difluoro-7-imidazol-1-yl-4-keto-2-quinolyl)methanesulfonic acid Formula: C17H14F2N4O7S MolecularWeight: 456.377466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)C3=C2C(=C(C(=C3N)F)N4C=CN=C4)F)OC(=O)O)CS(=O)(=O)O

Isomeric SMILES

C1CC1N2C(=C(C(=O)C3=C2C(=C(C(=C3N)F)N4C=CN=C4)F)OC(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C17H14F2N4O7S/c18-10-12(20)9-13(11(19)14(10)22-4-3-21-6-22)23(7-1-2-7)8(5-31(27,28)29)16(15(9)24)30-17(25)26/h3-4,6-7H,1-2,5,20H2,(H,25,26)(H,27,28,29)