disodium 6-fluoranyl-4-oxidanylidene-1-[2-[4-oxidanylidene-3-(2-phenoxyethanoylamino)-1-sulfonato-azetidin-2-yl]sulfanylcarbothioyloxyethyl]-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: disodium 6-fluoranyl-4-oxidanylidene-1-[2-[4-oxidanylidene-3-(2-phenoxyethanoylamino)-1-sulfonato-azetidin-2-yl]sulfanylcarbothioyloxyethyl]-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: disodium 6-fluoro-4-oxo-1-[2-[4-oxo-3-[(2-phenoxyacetyl)amino]-1-sulfonato-azetidin-2-yl]sulfanylcarbothioyloxyethyl]-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: disodium 6-fluoro-4-oxo-1-[2-[[[4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-sulfonato-2-azetidinyl]thio]-sulfanylidenemethoxy]ethyl]-7-(1-piperazinyl)-3-quinolinecarboxylate IUPAC Name: disodium 6-fluoro-4-oxo-1-[2-[4-oxo-3-[(2-phenoxyacetyl)amino]-1-sulfonatoazetidin-2-yl]sulfanylcarbothioyloxyethyl]-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: disodium 6-fluoro-4-keto-1-[2-[[4-keto-3-[(2-phenoxyacetyl)amino]-1-sulfonato-azetidin-2-yl]thio]carbothioyloxyethyl]-7-piperazino-quinoline-3-carboxylate Formula: C28H26FN5Na2O10S3 MolecularWeight: 753.706483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])CCOC(=S)SC4C(C(=O)N4S(=O)(=O)[O-])NC(=O)COC5=CC=CC=C5)F.[Na+].[Na+]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])CCOC(=S)SC4C(C(=O)N4S(=O)(=O)[O-])NC(=O)COC5=CC=CC=C5)F.[Na+].[Na+]

InChI

InChI=1S/C28H28FN5O10S3.2Na/c29-19-12-17-20(13-21(19)32-8-6-30-7-9-32)33(14-18(24(17)36)27(38)39)10-11-43-28(45)46-26-23(25(37)34(26)47(40,41)42)31-22(35)15-44-16-4-2-1-3-5-16;;/h1-5,12-14,23,26,30H,6-11,15H2,(H,31,35)(H,38,39)(H,40,41,42);;/q;2*+1/p-2