3-cyanopropyl 4-chloranyl-3-(methylsulfamoyl)benzoate

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-(methylsulfamoyl)benzoate Openeye Name: 3-cyanopropyl 4-chloro-3-(methylsulfamoyl)benzoate CAS Name: 4-chloro-3-(methylsulfamoyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-chloro-3-(methylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(methylsulfamoyl)benzoic acid 3-cyanopropyl ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCCCC#N)Cl

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCCCC#N)Cl

InChI

InChI=1S/C12H13ClN2O4S/c1-15-20(17,18)11-8-9(4-5-10(11)13)12(16)19-7-3-2-6-14/h4-5,8,15H,2-3,7H2,1H3