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

Systemtic Name: 4-ethanoyl-1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)C)C(=O)O

Isomeric SMILES

CC1C(N(CCN1C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)C)C(=O)O

InChI

InChI=1S/C22H25FN2O6S/c1-14-4-5-18(23)12-17(14)13-31-19-6-8-20(9-7-19)32(29,30)25-11-10-24(16(3)26)15(2)21(25)22(27)28/h4-9,12,15,21H,10-11,13H2,1-3H3,(H,27,28)