3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-5-chloranyl-2-fluoranyl-benzoic acid

Systemtic Name: 3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-5-chloranyl-2-fluoranyl-benzoic acid Openeye Name: 3-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-5-chloro-2-fluoro-benzoic acid CAS Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-5-chloro-2-fluorobenzoic acid IUPAC Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-5-chloro-2-fluorobenzoic acid Traditional Name: 3-(3-amino-3-keto-2-methyl-propyl)sulfonyl-5-chloro-2-fluoro-benzoic acid Formula: C11H11ClFNO5S MolecularWeight: 323.725143

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F)C(=O)N

Isomeric SMILES

CC(CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F)C(=O)N

InChI

InChI=1S/C11H11ClFNO5S/c1-5(10(14)15)4-20(18,19)8-3-6(12)2-7(9(8)13)11(16)17/h2-3,5H,4H2,1H3,(H2,14,15)(H,16,17)