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

Systemtic Name: [3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] benzenesulfonate Openeye Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C25H24BrN3O3S MolecularWeight: 526.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC(=CC=C4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H24BrN3O3S/c26-19-14-15-23-28-24(25(29(23)17-19)27-20-9-3-1-4-10-20)18-8-7-11-21(16-18)32-33(30,31)22-12-5-2-6-13-22/h2,5-8,11-17,20,27H,1,3-4,9-10H2