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

Systemtic Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic 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-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c1-26(2,3)20-13-15-22(16-14-20)34(31,32)33-21-11-9-10-19(18-21)24-25(29-27(4,5)6)30-17-8-7-12-23(30)28-24/h7-18,29H,1-6H3