2-[(4-fluorophenyl)methylsulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-fluorophenyl)methylsulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-fluorophenyl)methylsulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-fluorobenzyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H16FNO4S MolecularWeight: 289.323143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=C(C=C1)F

InChI

InChI=1S/C12H16FNO4S/c1-8(2)11(12(15)16)14-19(17,18)7-9-3-5-10(13)6-4-9/h3-6,8,11,14H,7H2,1-2H3,(H,15,16)