cyanomethyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: cyanomethyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: cyanomethyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid cyanomethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC#N)C

InChI

InChI=1S/C18H18N2O4S/c1-3-20(16-7-5-4-6-8-16)25(22,23)17-13-15(10-9-14(17)2)18(21)24-12-11-19/h4-10,13H,3,12H2,1-2H3