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

Systemtic Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H15ClN2O5S/c1-11-4-3-5-12(8-11)17-21-20-16(26-17)10-25-18(22)14-9-13(27(2,23)24)6-7-15(14)19/h3-9H,10H2,1-2H3