[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(diethylsulfamoyl)-1-methyl-2-pyrrolecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-4-23(5-2)30(27,28)17-13-18(22(3)14-17)20(26)29-15-19(25)24(12-11-21)16-9-7-6-8-10-16/h6-10,13-14H,4-5,12,15H2,1-3H3