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

Systemtic Name: [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-19-15-16-30-25(17-19)29-26(27(30)28-21-8-4-3-5-9-21)20-7-6-10-23(18-20)34-35(31,32)24-13-11-22(33-2)12-14-24/h6-7,10-18,21,28H,3-5,8-9H2,1-2H3