[1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(2,5-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22F2N2O6S MolecularWeight: 468.470986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F2N2O6S/c1-13(20(26)24-17-12-15(22)6-7-16(17)23)31-21(27)14-5-8-18(30-2)19(11-14)32(28,29)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,26)