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

Systemtic Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 2-phenylethenesulfonate Openeye Name: [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] 2-phenylethenesulfonate CAS Name: 2-phenylethenesulfonic 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] 2-phenylethenesulfonate Traditional Name: 2-phenylethenesulfonic acid [4-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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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)C=CC5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC(=C(C=C4)OS(=O)(=O)C=CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H31N3O4S/c1-21-15-17-32-27(19-21)31-28(29(32)30-24-11-7-4-8-12-24)23-13-14-25(26(20-23)35-2)36-37(33,34)18-16-22-9-5-3-6-10-22/h3,5-6,9-10,13-20,24,30H,4,7-8,11-12H2,1-2H3