cyanomethyl 3-(diethylsulfamoyl)-4-methyl-benzoate

Systemtic Name: cyanomethyl 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: cyanomethyl 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid cyanomethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-4-16(5-2)21(18,19)13-10-12(7-6-11(13)3)14(17)20-9-8-15/h6-7,10H,4-5,9H2,1-3H3