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

Systemtic Name: [2-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=C(C=CC4=N3)Br)NC5CCCCC5

InChI

InChI=1S/C26H26BrN3O4S/c1-33-20-12-14-21(15-13-20)35(31,32)34-23-10-6-5-9-22(23)25-26(28-19-7-3-2-4-8-19)30-17-18(27)11-16-24(30)29-25/h5-6,9-17,19,28H,2-4,7-8H2,1H3