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

Systemtic Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [3-[3-(tert-butylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic 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-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [3-[3-(tert-butylamino)-7-methyl-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=CC2=NC(=C(N2C=C1)NC(C)(C)C)C3=CC(=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3S/c1-19-15-16-31-24(17-19)29-25(26(31)30-28(5,6)7)20-9-8-10-22(18-20)34-35(32,33)23-13-11-21(12-14-23)27(2,3)4/h8-18,30H,1-7H3