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

Systemtic Name: [4-[2-azanyl-4-[3-(2-cyano-5-methoxy-phenyl)-4-fluoranyl-phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] methanesulfonate Openeye Name: [4-[2-amino-4-[3-(2-cyano-5-methoxy-phenyl)-4-fluoro-phenyl]-1-methyl-5-oxo-imidazol-4-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-amino-4-[3-(2-cyano-5-methoxyphenyl)-4-fluorophenyl]-1-methyl-5-oxo-4-imidazolyl]phenyl] ester IUPAC Name: [4-[2-amino-4-[3-(2-cyano-5-methoxyphenyl)-4-fluorophenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-amino-4-[3-(2-cyano-5-methoxy-phenyl)-4-fluoro-phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C25H21FN4O5S MolecularWeight: 508.521443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN4O5S/c1-30-23(31)25(29-24(30)28,16-5-9-18(10-6-16)35-36(3,32)33)17-7-11-22(26)21(12-17)20-13-19(34-2)8-4-15(20)14-27/h4-13H,1-3H3,(H2,28,29)