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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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