1-[2-(4-chlorophenyl)sulfonylethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-chlorophenyl)sulfonylethyl]triazole-4-carboxylate CAS Name: 1-[2-(4-chlorophenyl)sulfonylethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-chlorophenyl)sulfonylethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)sulfonylethyl]triazole-4-carboxylate Formula: C11H9ClN3O4S- MolecularWeight: 314.72486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCN2C=C(N=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCN2C=C(N=N2)C(=O)[O-])Cl

InChI

InChI=1S/C11H10ClN3O4S/c12-8-1-3-9(4-2-8)20(18,19)6-5-15-7-10(11(16)17)13-14-15/h1-4,7H,5-6H2,(H,16,17)/p-1