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

Systemtic Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

InChI=1S/C26H27N3O3S/c1-19-10-16-23(17-11-19)33(30,31)32-22-14-12-20(13-15-22)25-26(27-21-7-3-2-4-8-21)29-18-6-5-9-24(29)28-25/h5-6,9-18,21,27H,2-4,7-8H2,1H3