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

Systemtic Name: [3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate Openeye Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [3-[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=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrN3O3S/c1-2-3-4-5-6-10-18-35(32,33)34-24-15-11-12-21(19-24)26-27(29-23-13-8-7-9-14-23)31-20-22(28)16-17-25(31)30-26/h11-12,15-17,19-20,23,29H,2-10,13-14,18H2,1H3