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

Systemtic Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

InChI=1S/C29H33N3O3S/c1-29(2,3)21-16-18-23(19-17-21)36(33,34)35-25-14-8-7-13-24(25)27-28(30-22-11-5-4-6-12-22)32-20-10-9-15-26(32)31-27/h7-10,13-20,22,30H,4-6,11-12H2,1-3H3