[(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranylbenzoate

Systemtic Name: [(2R)-1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranylbenzoate Openeye Name: [(1R)-2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(2R)-1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(1R)-2-(2-chloro-5-piperidinosulfonyl-anilino)-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=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN2O5S/c1-14(30-21(27)15-5-7-16(23)8-6-15)20(26)24-19-13-17(9-10-18(19)22)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