[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[3-(tert-butylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=C(N4C=CC=CC4=N3)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=C(N4C=CC=CC4=N3)NC(C)(C)C

InChI

InChI=1S/C24H25N3O3S/c1-17-11-13-20(14-12-17)31(28,29)30-19-9-7-8-18(16-19)22-23(26-24(2,3)4)27-15-6-5-10-21(27)25-22/h5-16,26H,1-4H3