[2-[5-fluoranyl-3-[[4-(2-methoxyethanoylamino)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-6-methyl-phenyl] hydrogen sulfate

Systemtic Name: [2-[5-fluoranyl-3-[[4-(2-methoxyethanoylamino)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-6-methyl-phenyl] hydrogen sulfate Openeye Name: [2-[[5-fluoro-3-[[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamoyl]-2-pyridyl]oxy]-6-methyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-[[5-fluoro-3-[[[4-[(2-methoxy-1-oxoethyl)amino]cyclohexyl]amino]-oxomethyl]-2-pyridinyl]oxy]-6-methylphenyl] ester IUPAC Name: [2-[5-fluoro-3-[[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamoyl]pyridin-2-yl]oxy-6-methylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-[[5-fluoro-3-[[4-[(2-methoxyacetyl)amino]cyclohexyl]carbamoyl]-2-pyridyl]oxy]-6-methyl-phenyl] ester Formula: C22H26FN3O8S MolecularWeight: 511.520543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)COC)F)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)NC(=O)COC)F)OS(=O)(=O)O

InChI

InChI=1S/C22H26FN3O8S/c1-13-4-3-5-18(20(13)34-35(29,30)31)33-22-17(10-14(23)11-24-22)21(28)26-16-8-6-15(7-9-16)25-19(27)12-32-2/h3-5,10-11,15-16H,6-9,12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30,31)