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

Systemtic Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylethenesulfonate Openeye Name: [2-[3-(cyclohexylamino)-7-methyl-imidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylethenesulfonate CAS Name: 2-phenylethenesulfonic 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] 2-phenylethenesulfonate Traditional Name: 2-phenylethenesulfonic acid [2-[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=C4OS(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)NC3CCCCC3)C4=CC=CC=C4OS(=O)(=O)C=CC5=CC=CC=C5

InChI

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