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

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C27H28BrN3O5S MolecularWeight: 586.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5)OC

InChI

InChI=1S/C27H28BrN3O5S/c1-34-21-10-12-22(13-11-21)37(32,33)36-23-14-8-18(16-24(23)35-2)26-27(29-20-6-4-3-5-7-20)31-17-19(28)9-15-25(31)30-26/h8-17,20,29H,3-7H2,1-2H3