[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

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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=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H18ClFN2O5S/c20-15-4-3-5-16(21)18(15)19(25)28-12-17(24)22-13-6-8-14(9-7-13)29(26,27)23-10-1-2-11-23/h3-9H,1-2,10-12H2,(H,22,24)