[4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H36BrN3O3S MolecularWeight: 562.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

InChI

InChI=1S/C27H36BrN3O3S/c1-2-3-4-5-6-10-19-35(32,33)34-24-16-13-21(14-17-24)26-27(29-23-11-8-7-9-12-23)31-20-22(28)15-18-25(31)30-26/h13-18,20,23,29H,2-12,19H2,1H3