phenyl 7-methylsulfanyl-5-propan-2-ylsulfonyl-imidazo[1,2-a]pyridine-3-sulfonate

Systemtic Name: phenyl 7-methylsulfanyl-5-propan-2-ylsulfonyl-imidazo[1,2-a]pyridine-3-sulfonate Openeye Name: phenyl 5-isopropylsulfonyl-7-methylsulfanyl-imidazo[1,2-a]pyridine-3-sulfonate CAS Name: 7-(methylthio)-5-propan-2-ylsulfonyl-3-imidazo[1,2-a]pyridinesulfonic acid phenyl ester IUPAC Name: phenyl 7-methylsulfanyl-5-propan-2-ylsulfonylimidazo[1,2-a]pyridine-3-sulfonate Traditional Name: 5-isopropylsulfonyl-7-(methylthio)imidazo[1,2-a]pyridine-3-sulfonic acid phenyl ester Formula: C17H18N2O5S3 MolecularWeight: 426.53022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=CC2=NC=C(N12)S(=O)(=O)OC3=CC=CC=C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=CC2=NC=C(N12)S(=O)(=O)OC3=CC=CC=C3)SC

InChI

InChI=1S/C17H18N2O5S3/c1-12(2)26(20,21)16-10-14(25-3)9-15-18-11-17(19(15)16)27(22,23)24-13-7-5-4-6-8-13/h4-12H,1-3H3