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

Systemtic Name: [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3-(2,4,4-trimethylpentan-2-ylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C28H33N3O3S/c1-20-14-16-21(17-15-20)35(32,33)34-23-12-8-7-11-22(23)25-26(30-28(5,6)19-27(2,3)4)31-18-10-9-13-24(31)29-25/h7-18,30H,19H2,1-6H3