3-cyanopropyl 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: 3-cyanopropyl 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: 3-cyanopropyl 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid 3-cyanopropyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OCCCC#N)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OCCCC#N)S(=O)(=O)N)C

InChI

InChI=1S/C13H16N2O4S/c1-9-7-11(13(16)19-6-4-3-5-14)8-12(10(9)2)20(15,17)18/h7-8H,3-4,6H2,1-2H3,(H2,15,17,18)