[(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1R)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22ClFN2O5S/c1-14(20(26)24-17-8-6-16(22)7-9-17)30-21(27)15-5-10-18(23)19(13-15)31(28,29)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)/t14-/m1/s1