[3-[2-azanyl-4-(4-fluoranyl-3-pyridin-3-yl-phenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] methanesulfonate

Systemtic Name: [3-[2-azanyl-4-(4-fluoranyl-3-pyridin-3-yl-phenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] methanesulfonate Openeye Name: [3-[2-amino-4-[4-fluoro-3-(3-pyridyl)phenyl]-1-methyl-5-oxo-imidazol-4-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-amino-4-[4-fluoro-3-(3-pyridinyl)phenyl]-1-methyl-5-oxo-4-imidazolyl]phenyl] ester IUPAC Name: [3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-amino-4-[4-fluoro-3-(3-pyridyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C22H19FN4O4S MolecularWeight: 454.474063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N=C1N)(C2=CC(=CC=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

CN1C(=O)C(N=C1N)(C2=CC(=CC=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C22H19FN4O4S/c1-27-20(28)22(26-21(27)24,15-6-3-7-17(11-15)31-32(2,29)30)16-8-9-19(23)18(12-16)14-5-4-10-25-13-14/h3-13H,1-2H3,(H2,24,26)