[3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [3-[3-(tert-butylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H24BrN3O3S/c1-16-12-13-28-21(14-16)26-22(23(28)27-24(2,3)4)17-6-5-7-19(15-17)31-32(29,30)20-10-8-18(25)9-11-20/h5-15,27H,1-4H3