[2-fluoranyl-4-(2-methyl-1,3-thiazol-4-yl)phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [2-fluoranyl-4-(2-methyl-1,3-thiazol-4-yl)phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [2-fluoro-4-(2-methylthiazol-4-yl)phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [2-fluoro-4-(2-methyl-4-thiazolyl)phenyl] ester IUPAC Name: [2-fluoro-4-(2-methyl-1,3-thiazol-4-yl)phenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [2-fluoro-4-(2-methylthiazol-4-yl)phenyl] ester Formula: C17H14FNO5S3 MolecularWeight: 427.490163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C)F

InChI

InChI=1S/C17H14FNO5S3/c1-11-19-16(10-25-11)12-6-7-17(15(18)8-12)24-27(22,23)14-5-3-4-13(9-14)26(2,20)21/h3-10H,1-2H3