2-[5-fluoranyl-3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-6-methyl-benzenesulfonic acid

Systemtic Name: 2-[5-fluoranyl-3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-6-methyl-benzenesulfonic acid Openeye Name: 2-[[5-fluoro-3-[[4-(2-pyridylmethylcarbamoyl)cyclohexyl]carbamoyl]-2-pyridyl]oxy]-6-methyl-benzenesulfonic acid CAS Name: 2-[[5-fluoro-3-[oxo-[[4-[oxo-(2-pyridinylmethylamino)methyl]cyclohexyl]amino]methyl]-2-pyridinyl]oxy]-6-methylbenzenesulfonic acid IUPAC Name: 2-[5-fluoro-3-[[4-(pyridin-2-ylmethylcarbamoyl)cyclohexyl]carbamoyl]pyridin-2-yl]oxy-6-methylbenzenesulfonic acid Traditional Name: 2-[[5-fluoro-3-[[4-(2-pyridylmethylcarbamoyl)cyclohexyl]carbamoyl]-2-pyridyl]oxy]-6-methyl-besylic acid Formula: C26H27FN4O6S MolecularWeight: 542.579183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)C(=O)NCC4=CC=CC=N4)F)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=NC=C(C=C2C(=O)NC3CCC(CC3)C(=O)NCC4=CC=CC=N4)F)S(=O)(=O)O

InChI

InChI=1S/C26H27FN4O6S/c1-16-5-4-7-22(23(16)38(34,35)36)37-26-21(13-18(27)14-30-26)25(33)31-19-10-8-17(9-11-19)24(32)29-15-20-6-2-3-12-28-20/h2-7,12-14,17,19H,8-11,15H2,1H3,(H,29,32)(H,31,33)(H,34,35,36)