3-cyanopropyl 5-(diethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: 3-cyanopropyl 5-(diethylsulfamoyl)-2-methyl-benzoate Openeye Name: 3-cyanopropyl 5-(diethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-methylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-(diethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-methyl-benzoic acid 3-cyanopropyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-4-18(5-2)23(20,21)14-9-8-13(3)15(12-14)16(19)22-11-7-6-10-17/h8-9,12H,4-7,11H2,1-3H3