3-fluoranyl-4-methyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-pyrrolidin-1-ylsulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-pyrrolidin-1-ylsulfonylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-pyrrolidinosulfonyl-benzoic acid Formula: C12H14FNO4S MolecularWeight: 287.307263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N2CCCC2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N2CCCC2)C(=O)O)F

InChI

InChI=1S/C12H14FNO4S/c1-8-10(13)6-9(12(15)16)7-11(8)19(17,18)14-4-2-3-5-14/h6-7H,2-5H2,1H3,(H,15,16)