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

Systemtic Name: 1-[4-[(5-fluoranyl-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-[4-[(5-fluoro-2-methyl-phenyl)methoxy]phenyl]sulfonyl-3-methyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methyl-4-(methylcarbamoyl)-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-3-methyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 1-[4-(5-fluoro-2-methyl-benzyl)oxyphenyl]sulfonyl-3-methyl-4-(methylcarbamoyl)piperazine-2-carboxylic acid Formula: C22H26FN3O6S MolecularWeight: 479.521743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O6S/c1-14-4-5-17(23)12-16(14)13-32-18-6-8-19(9-7-18)33(30,31)26-11-10-25(22(29)24-3)15(2)20(26)21(27)28/h4-9,12,15,20H,10-11,13H2,1-3H3,(H,24,29)(H,27,28)