[4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] quinoline-8-sulfonate

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] quinoline-8-sulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C29H27BrN4O4S MolecularWeight: 607.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OS(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OS(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C29H27BrN4O4S/c1-37-24-17-20(12-14-23(24)38-39(35,36)25-11-5-7-19-8-6-16-31-27(19)25)28-29(32-22-9-3-2-4-10-22)34-18-21(30)13-15-26(34)33-28/h5-8,11-18,22,32H,2-4,9-10H2,1H3