3-fluoranyl-4-methyl-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CCN2CCCC2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CCN2CCCC2)C(=O)O)F

InChI

InChI=1S/C14H18FNO4S/c1-10-12(15)8-11(14(17)18)9-13(10)21(19,20)7-6-16-4-2-3-5-16/h8-9H,2-7H2,1H3,(H,17,18)