[2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate

Systemtic Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate Openeye Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=CC=C1C2=C(N3C=CC=CC3=N2)NC4CCCCC4

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=CC=C1C2=C(N3C=CC=CC3=N2)NC4CCCCC4

InChI

InChI=1S/C27H37N3O3S/c1-2-3-4-5-6-14-21-34(31,32)33-24-18-11-10-17-23(24)26-27(28-22-15-8-7-9-16-22)30-20-13-12-19-25(30)29-26/h10-13,17-20,22,28H,2-9,14-16,21H2,1H3