[3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=C(N4C=CC(=CC4=N3)C)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=C(N4C=CC(=CC4=N3)C)NC5CCCCC5

InChI

InChI=1S/C27H29N3O3S/c1-19-11-13-24(14-12-19)34(31,32)33-23-10-6-7-21(18-23)26-27(28-22-8-4-3-5-9-22)30-16-15-20(2)17-25(30)29-26/h6-7,10-18,22,28H,3-5,8-9H2,1-2H3