[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)benzoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)benzoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-3-24(4-2)31(28,29)20-13-11-18(12-14-20)22(27)30-17-21(26)25(16-8-15-23)19-9-6-5-7-10-19/h5-7,9-14H,3-4,8,16-17H2,1-2H3