3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C13H14FNO5S MolecularWeight: 315.317363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC(=O)NC2CC2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC(=O)NC2CC2)C(=O)O)F

InChI

InChI=1S/C13H14FNO5S/c1-7-10(14)4-8(13(17)18)5-11(7)21(19,20)6-12(16)15-9-2-3-9/h4-5,9H,2-3,6H2,1H3,(H,15,16)(H,17,18)