3-fluoranyl-4-methyl-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(3-oxopiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(3-oxopiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-fluoro-5-(3-ketopiperazino)sulfonyl-4-methyl-benzoic acid Formula: C12H13FN2O5S MolecularWeight: 316.305423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N2CCNC(=O)C2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N2CCNC(=O)C2)C(=O)O)F

InChI

InChI=1S/C12H13FN2O5S/c1-7-9(13)4-8(12(17)18)5-10(7)21(19,20)15-3-2-14-11(16)6-15/h4-5H,2-3,6H2,1H3,(H,14,16)(H,17,18)