1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)C)C(=O)O

Isomeric SMILES

CC1C(N(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)C)C(=O)O

InChI

InChI=1S/C20H21FN2O6S/c1-12-3-4-15(21)9-14(12)11-29-16-5-7-17(8-6-16)30(27,28)23-10-18(24)22-13(2)19(23)20(25)26/h3-9,13,19H,10-11H2,1-2H3,(H,22,24)(H,25,26)