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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H26BrN3O3S MolecularWeight: 576.50404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=C(C=C4)OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=C(C=C4)OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H26BrN3O3S/c30-23-13-17-27-32-28(29(33(27)19-23)31-24-8-2-1-3-9-24)21-10-14-25(15-11-21)36-37(34,35)26-16-12-20-6-4-5-7-22(20)18-26/h4-7,10-19,24,31H,1-3,8-9H2