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

Systemtic Name: [3-[2-azanyl-4-[4-fluoranyl-3-(3-methoxyphenyl)phenyl]-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl] propane-1-sulfonate Openeye Name: [3-[2-amino-4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-1-methyl-5-oxo-imidazol-4-yl]phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [3-[2-amino-4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [3-[2-amino-4-[4-fluoro-3-(3-methoxyphenyl)phenyl]-5-keto-1-methyl-2-imidazolin-4-yl]phenyl] ester Formula: C26H26FN3O5S MolecularWeight: 511.565143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O5S/c1-4-13-36(32,33)35-21-10-6-8-18(15-21)26(24(31)30(2)25(28)29-26)19-11-12-23(27)22(16-19)17-7-5-9-20(14-17)34-3/h5-12,14-16H,4,13H2,1-3H3,(H2,28,29)