3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(3-amino-2-methyl-3-oxo-propyl)sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(3-amino-2-methyl-3-oxopropyl)sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(3-amino-3-keto-2-methyl-propyl)sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C12H14FNO5S MolecularWeight: 303.306663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC(C)C(=O)N)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC(C)C(=O)N)C(=O)O)F

InChI

InChI=1S/C12H14FNO5S/c1-6(11(14)15)5-20(18,19)10-4-8(12(16)17)3-9(13)7(10)2/h3-4,6H,5H2,1-2H3,(H2,14,15)(H,16,17)