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

Systemtic Name: [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylethenesulfonate Openeye Name: [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylethenesulfonate CAS Name: 2-phenylethenesulfonic 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] 2-phenylethenesulfonate Traditional Name: 2-phenylethenesulfonic acid [3-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-21-15-17-31-26(19-21)30-27(28(31)29-24-12-6-3-7-13-24)23-11-8-14-25(20-23)34-35(32,33)18-16-22-9-4-2-5-10-22/h2,4-5,8-11,14-20,24,29H,3,6-7,12-13H2,1H3