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

Systemtic Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC=CC4=N3)NC5CCCCC5

InChI

InChI=1S/C26H27N3O4S/c1-32-20-14-16-21(17-15-20)34(30,31)33-23-12-6-5-11-22(23)25-26(27-19-9-3-2-4-10-19)29-18-8-7-13-24(29)28-25/h5-8,11-19,27H,2-4,9-10H2,1H3