(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C11H8ClN3O6S2 MolecularWeight: 377.78072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(SN=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=C(SN=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN3O6S2/c1-23(19,20)9-3-2-6(4-8(9)15(17)18)11(16)21-5-7-10(12)22-14-13-7/h2-4H,5H2,1H3