[2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC=C1C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC=C1C2=C(N3C=CC(=CC3=N2)C)NC4CCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-3-4-16-31(28,29)30-21-13-9-8-12-20(21)23-24(25-19-10-6-5-7-11-19)27-15-14-18(2)17-22(27)26-23/h8-9,12-15,17,19,25H,3-7,10-11,16H2,1-2H3