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

Systemtic Name: [3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate Openeye Name: [3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [3-[3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C29H27N3O3S MolecularWeight: 497.60798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O3S/c33-36(34,26-17-16-21-9-4-5-10-22(21)20-26)35-25-14-8-11-23(19-25)28-29(30-24-12-2-1-3-13-24)32-18-7-6-15-27(32)31-28/h4-11,14-20,24,30H,1-3,12-13H2