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

Systemtic Name: phenyl 7-methylsulfanyl-3-propan-2-ylsulfonyl-imidazo[1,2-a]pyridine-5-sulfonate Openeye Name: phenyl 3-isopropylsulfonyl-7-methylsulfanyl-imidazo[1,2-a]pyridine-5-sulfonate CAS Name: 7-(methylthio)-3-propan-2-ylsulfonyl-5-imidazo[1,2-a]pyridinesulfonic acid phenyl ester IUPAC Name: phenyl 7-methylsulfanyl-3-propan-2-ylsulfonylimidazo[1,2-a]pyridine-5-sulfonate Traditional Name: 3-isopropylsulfonyl-7-(methylthio)imidazo[1,2-a]pyridine-5-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=CN=C2N1C(=CC(=C2)SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CN=C2N1C(=CC(=C2)SC)S(=O)(=O)OC3=CC=CC=C3

InChI

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