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

Systemtic Name: [3-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ethanesulfonate Openeye Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4

InChI

InChI=1S/C21H24BrN3O3S/c1-2-29(26,27)28-18-10-6-7-15(13-18)20-21(23-17-8-4-3-5-9-17)25-14-16(22)11-12-19(25)24-20/h6-7,10-14,17,23H,2-5,8-9H2,1H3