5-chloranyl-3-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-3-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxy-benzoic acid CAS Name: 5-chloro-3-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid Traditional Name: 5-chloro-3-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxy-benzoic acid Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C12H13ClN2O5S/c1-15(5-3-4-14)21(18,19)10-7-8(13)6-9(12(16)17)11(10)20-2/h6-7H,3,5H2,1-2H3,(H,16,17)