[2-[8-methyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-[8-methyl-3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [2-[3-(benzylamino)-8-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-[8-methyl-3-[(phenylmethyl)amino]-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [2-[3-(benzylamino)-8-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H22F3N3O3S MolecularWeight: 537.55279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2NCC3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2NCC3=CC=CC=C3)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C28H22F3N3O3S/c1-19-9-8-16-34-26(19)33-25(27(34)32-18-20-10-3-2-4-11-20)23-14-5-6-15-24(23)37-38(35,36)22-13-7-12-21(17-22)28(29,30)31/h2-17,32H,18H2,1H3