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

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] quinoline-8-sulfonate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H25BrN4O3S MolecularWeight: 577.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C28H25BrN4O3S/c29-20-15-16-25-32-27(28(33(25)18-20)31-21-10-2-1-3-11-21)22-12-4-5-13-23(22)36-37(34,35)24-14-6-8-19-9-7-17-30-26(19)24/h4-9,12-18,21,31H,1-3,10-11H2