[4-[2-azanyl-4-[4-fluoranyl-3-(5-methoxypyridin-3-yl)phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate

Systemtic Name: [4-[2-azanyl-4-[4-fluoranyl-3-(5-methoxypyridin-3-yl)phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate Openeye Name: [4-[2-amino-4-[4-fluoro-3-(5-methoxy-3-pyridyl)phenyl]-1-methyl-5-oxo-imidazol-4-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-[2-amino-4-[4-fluoro-3-(5-methoxypyridin-3-yl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-[2-amino-4-[4-fluoro-3-(5-methoxy-3-pyridyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C25H25FN4O5S MolecularWeight: 512.553203

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=CC=C(C=C1)C2(C(=O)N(C(=N2)N)C)C3=CC(=C(C=C3)F)C4=CC(=CN=C4)OC

Isomeric SMILES

CCCS(=O)(=O)OC1=CC=C(C=C1)C2(C(=O)N(C(=N2)N)C)C3=CC(=C(C=C3)F)C4=CC(=CN=C4)OC

InChI

InChI=1S/C25H25FN4O5S/c1-4-11-36(32,33)35-19-8-5-17(6-9-19)25(23(31)30(2)24(27)29-25)18-7-10-22(26)21(13-18)16-12-20(34-3)15-28-14-16/h5-10,12-15H,4,11H2,1-3H3,(H2,27,29)