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

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] benzenesulfonate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S/c1-19-16-17-29-24(18-19)28-25(26(29)27-20-10-4-2-5-11-20)22-14-8-9-15-23(22)32-33(30,31)21-12-6-3-7-13-21/h3,6-9,12-18,20,27H,2,4-5,10-11H2,1H3