[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-[(4-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-[(4-fluorophenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate Traditional Name: 2-[(4-fluorobenzoyl)amino]acetic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O6S/c22-16-8-6-15(7-9-16)21(28)23-13-20(27)31-14-19(26)24-17-4-3-5-18(12-17)32(29,30)25-10-1-2-11-25/h3-9,12H,1-2,10-11,13-14H2,(H,23,28)(H,24,26)