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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylethenesulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylethenesulfonate CAS Name: 2-phenylethenesulfonic 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] 2-phenylethenesulfonate Traditional Name: 2-phenylethenesulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H26BrN3O3S MolecularWeight: 552.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=C(C=C4)OS(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC2=C(N=C3N2C=C(C=C3)Br)C4=CC=C(C=C4)OS(=O)(=O)C=CC5=CC=CC=C5

InChI

InChI=1S/C27H26BrN3O3S/c28-22-13-16-25-30-26(27(31(25)19-22)29-23-9-5-2-6-10-23)21-11-14-24(15-12-21)34-35(32,33)18-17-20-7-3-1-4-8-20/h1,3-4,7-8,11-19,23,29H,2,5-6,9-10H2