[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 1-diphenylphosphorylcyclopropanecarboxylate CAS Name: 1-diphenylphosphoryl-1-cyclopropanecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 1-diphenylphosphorylcyclopropane-1-carboxylate Traditional Name: 1-diphenylphosphorylcyclopropanecarboxylic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C28H29N2O6PS MolecularWeight: 552.578421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3(CC3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3(CC3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N2O6PS/c31-26(29-22-13-15-25(16-14-22)38(34,35)30-19-7-8-20-30)21-36-27(32)28(17-18-28)37(33,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16H,7-8,17-21H2,(H,29,31)