phenyl 3-methylsulfanyl-5-(phenylsulfonyl)imidazo[1,2-a]pyridine-7-sulfonate

Systemtic Name: phenyl 3-methylsulfanyl-5-(phenylsulfonyl)imidazo[1,2-a]pyridine-7-sulfonate Openeye Name: phenyl 5-(benzenesulfonyl)-3-methylsulfanyl-imidazo[1,2-a]pyridine-7-sulfonate CAS Name: 5-(benzenesulfonyl)-3-(methylthio)-7-imidazo[1,2-a]pyridinesulfonic acid phenyl ester IUPAC Name: phenyl 5-(benzenesulfonyl)-3-methylsulfanylimidazo[1,2-a]pyridine-7-sulfonate Traditional Name: 5-besyl-3-(methylthio)imidazo[1,2-a]pyridine-7-sulfonic acid phenyl ester Formula: C20H16N2O5S3 MolecularWeight: 460.54644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C2N1C(=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CN=C2N1C(=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5S3/c1-28-19-14-21-18-12-17(30(25,26)27-15-8-4-2-5-9-15)13-20(22(18)19)29(23,24)16-10-6-3-7-11-16/h2-14H,1H3