[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H20ClFN2O5S/c21-18-11-14(22)7-8-17(18)20(26)29-13-19(25)23-15-5-4-6-16(12-15)30(27,28)24-9-2-1-3-10-24/h4-8,11-12H,1-3,9-10,13H2,(H,23,25)