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

Systemtic Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-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(=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4S/c1-19-15-16-30-25(17-19)29-26(27(30)28-21-9-5-3-6-10-21)20-13-14-23(24(18-20)33-2)34-35(31,32)22-11-7-4-8-12-22/h4,7-8,11-18,21,28H,3,5-6,9-10H2,1-2H3