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

Systemtic Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-[3-(cyclohexylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O4S/c1-21-17-18-34-28(19-21)33-29(30(34)32-24-9-7-6-8-10-24)22-11-16-26(27(20-22)37-5)38-39(35,36)25-14-12-23(13-15-25)31(2,3)4/h11-20,24,32H,6-10H2,1-5H3