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

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

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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=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=CC=C4OS(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

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