[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClFN2O5S MolecularWeight: 454.899603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20ClFN2O5S/c1-13(19(25)23-16-7-5-15(22)6-8-16)29-20(26)14-4-9-17(21)18(12-14)30(27,28)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,25)/t13-/m1/s1