[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-chloranyl-5-methylsulfonyl-benzenesulfonate

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-chloranyl-5-methylsulfonyl-benzenesulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-chloro-5-methylsulfonyl-benzenesulfonate CAS Name: 2-chloro-5-methylsulfonylbenzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2-chloro-5-methylsulfonylbenzenesulfonate Traditional Name: 2-chloro-5-mesyl-benzenesulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C16H13ClN2O6S2 MolecularWeight: 428.86722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H13ClN2O6S2/c1-10-18-16(19-24-10)11-3-5-12(6-4-11)25-27(22,23)15-9-13(26(2,20)21)7-8-14(15)17/h3-9H,1-2H3