4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-benzoic acid Openeye Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid CAS Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoic acid IUPAC Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoic acid Traditional Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoic acid Formula: C12H15ClFNO5S MolecularWeight: 339.767603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCCl)C1=C(C=C(C=C1)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)OCCN(CCCl)C1=C(C=C(C=C1)C(=O)O)F

InChI

InChI=1S/C12H15ClFNO5S/c1-21(18,19)20-7-6-15(5-4-13)11-3-2-9(12(16)17)8-10(11)14/h2-3,8H,4-7H2,1H3,(H,16,17)