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

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[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=C2C3=C(N4C=CC(=CC4=N3)C)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=C(N4C=CC(=CC4=N3)C)NC5CCCCC5

InChI

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