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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=NC=C(N2C(=C1)SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=NC=C(N2C(=C1)SC)S(=O)(=O)OC3=CC=CC=C3

InChI

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