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

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S2/c22-16-6-8-18(9-7-16)30-13-10-21(26)29-15-20(25)23-17-4-3-5-19(14-17)31(27,28)24-11-1-2-12-24/h3-9,14H,1-2,10-13,15H2,(H,23,25)