[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-methylbenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-methyl-benzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-6-27(7-2)34(31,32)22-10-9-20(5)23(16-22)25(30)33-17-24(29)28(12-8-11-26)21-14-18(3)13-19(4)15-21/h9-10,13-16H,6-8,12,17H2,1-5H3