[1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-(2,5-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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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)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H20F2N2O5S/c1-13(19(25)23-18-12-15(21)6-9-17(18)22)29-20(26)14-4-7-16(8-5-14)30(27,28)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,25)