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

Systemtic Name: 4-ethanoyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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