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

Systemtic Name: 4-ethanoyl-1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)COC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C

InChI

InChI=1S/C21H23FN2O6S/c1-14-3-4-17(22)11-16(14)13-30-18-5-7-19(8-6-18)31(28,29)24-10-9-23(15(2)25)12-20(24)21(26)27/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,26,27)