1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-3,3-dimethyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-3,3-dimethyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,3-dimethyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,3-dimethyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-3,3-dimethyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-fluorophenoxy)phenyl]sulfonyl-5-keto-3,3-dimethyl-piperazine-2-carboxylic acid Formula: C19H19FN2O6S MolecularWeight: 422.427363

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)O)C

Isomeric SMILES

CC1(C(N(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)O)C

InChI

InChI=1S/C19H19FN2O6S/c1-19(2)17(18(24)25)22(11-16(23)21-19)29(26,27)15-9-7-14(8-10-15)28-13-5-3-12(20)4-6-13/h3-10,17H,11H2,1-2H3,(H,21,23)(H,24,25)