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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N4O5S/c1-22-14-17(30(27,28)23-10-5-6-11-23)13-18(22)20(26)29-15-19(25)24(12-9-21)16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,10-12,15H2,1H3