PDB CCD ID: | AF0 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C20 H20 F4 N2 O3 S |
InChI: | InChI=1S/C20H20F4N2O3S/c1-3-8-26-15-6-5-13(9-12(15)4-7-16(26)27)25-30(28,29)10-14-19(23)17(21)11(2)18(22)20(14)24/h5-6,9,25H,3-4,7-8,10H2,1-2H3 |
InChIKey: | RHRMCQAKLLGSMI-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | c1(c(c(c(c(c1F)F)C)F)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | CACTVS 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3c(F)c(F)c(C)c(F)c3F)ccc12 | OpenEye OEToolkits 2.0.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3c(c(c(c(c3F)F)C)F)F |
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Name: | N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide; AMF4 |