[5-azanyl-3-carboxyoxy-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinolin-2-yl]methanesulfonate hydrate

Systemtic Name: [5-azanyl-3-carboxyoxy-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinolin-2-yl]methanesulfonate hydrate Openeye Name: [5-amino-3-carboxyoxy-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxo-2-quinolyl]methanesulfonate hydrate CAS Name: [5-amino-3-carboxyoxy-1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-4-oxo-2-quinolinyl]methanesulfonate hydrate IUPAC Name: [5-amino-3-carboxyoxy-1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinolin-2-yl]methanesulfonate hydrate Traditional Name: [5-amino-3-carboxyoxy-1-cyclopropyl-7-(4-ethylpiperazino)-6,8-difluoro-4-keto-2-quinolyl]methanesulfonate hydrate Formula: C20H25F2N4O8S- MolecularWeight: 519.496306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C3=C(C(=C2F)N)C(=O)C(=C(N3C4CC4)CS(=O)(=O)[O-])OC(=O)O)F.O

Isomeric SMILES

CCN1CCN(CC1)C2=C(C3=C(C(=C2F)N)C(=O)C(=C(N3C4CC4)CS(=O)(=O)[O-])OC(=O)O)F.O

InChI

InChI=1S/C20H24F2N4O7S.H2O/c1-2-24-5-7-25(8-6-24)17-13(21)15(23)12-16(14(17)22)26(10-3-4-10)11(9-34(30,31)32)19(18(12)27)33-20(28)29;/h10H,2-9,23H2,1H3,(H,28,29)(H,30,31,32);1H2/p-1