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

Systemtic Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-methyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-methyl-piperazine-2-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-methylpiperazine-2-carboxylic acid Traditional Name: 1-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-4-methyl-piperazine-2-carboxylic acid Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O5S/c1-21-10-11-22(18(12-21)19(23)24)28(25,26)17-8-6-16(7-9-17)27-13-14-2-4-15(20)5-3-14/h2-9,18H,10-13H2,1H3,(H,23,24)