[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C24H23FN4O5S MolecularWeight: 498.526623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)NC4=CC=CC=C4F

InChI

InChI=1S/C24H23FN4O5S/c25-20-10-1-2-11-21(20)28-23-19(9-6-12-26-23)24(31)34-16-22(30)27-17-7-5-8-18(15-17)35(32,33)29-13-3-4-14-29/h1-2,5-12,15H,3-4,13-14,16H2,(H,26,28)(H,27,30)