4-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]-methyl-amino]butanoic acid Openeye Name: 4-[4-(difluoromethylsulfonyl)-N-methyl-anilino]butanoic acid CAS Name: 4-[4-(difluoromethylsulfonyl)-N-methylanilino]butanoic acid IUPAC Name: 4-[4-(difluoromethylsulfonyl)-N-methylanilino]butanoic acid Traditional Name: 4-[4-(difluoromethylsulfonyl)-N-methyl-anilino]butyric acid Formula: C12H15F2NO4S MolecularWeight: 307.313606

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

Isomeric SMILES

CN(CCCC(=O)O)C1=CC=C(C=C1)S(=O)(=O)C(F)F

InChI

InChI=1S/C12H15F2NO4S/c1-15(8-2-3-11(16)17)9-4-6-10(7-5-9)20(18,19)12(13)14/h4-7,12H,2-3,8H2,1H3,(H,16,17)