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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26BrN3O4S/c1-33-23-16-18(12-14-22(23)34-35(31,32)21-10-6-3-7-11-21)25-26(28-20-8-4-2-5-9-20)30-17-19(27)13-15-24(30)29-25/h3,6-7,10-17,20,28H,2,4-5,8-9H2,1H3