3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoate

Systemtic Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoate Openeye Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoate CAS Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethylbenzoate IUPAC Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethylbenzoate Traditional Name: 3-(2-cyanoethylsulfamoyl)-4,5-dimethyl-benzoate Formula: C12H13N2O4S- MolecularWeight: 281.30762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCCC#N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCCC#N)C

InChI

InChI=1S/C12H14N2O4S/c1-8-6-10(12(15)16)7-11(9(8)2)19(17,18)14-5-3-4-13/h6-7,14H,3,5H2,1-2H3,(H,15,16)/p-1