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

Systemtic Name: [3-[2-azanyl-4-(4-fluoranyl-3-pyridin-3-yl-phenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-2-sulfonate Openeye Name: [3-[2-amino-4-[4-fluoro-3-(3-pyridyl)phenyl]-1-methyl-5-oxo-imidazol-4-yl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[2-amino-4-[4-fluoro-3-(3-pyridyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C24H23FN4O4S MolecularWeight: 482.527223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O4S/c1-15(2)34(31,32)33-19-8-4-7-17(12-19)24(22(30)29(3)23(26)28-24)18-9-10-21(25)20(13-18)16-6-5-11-27-14-16/h4-15H,1-3H3,(H2,26,28)