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

Systemtic Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-[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=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

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