3-fluoranyl-4-methyl-5-(pyridin-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(pyridin-4-ylmethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(4-pyridylmethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(pyridin-4-ylmethylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(pyridin-4-ylmethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(4-pyridylmethylsulfonyl)benzoic acid Formula: C14H12FNO4S MolecularWeight: 309.312783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=NC=C2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=NC=C2)C(=O)O)F

InChI

InChI=1S/C14H12FNO4S/c1-9-12(15)6-11(14(17)18)7-13(9)21(19,20)8-10-2-4-16-5-3-10/h2-7H,8H2,1H3,(H,17,18)