4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-2-methyl-2-(phenylsulfonyl)piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-2-methyl-2-(phenylsulfonyl)piperazine-1,3-dicarboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methyl-phenyl)methoxy]-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 2-besyl-4-(5-fluoro-2-methyl-benzyl)oxy-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C21H23FN2O7S MolecularWeight: 466.479923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CON2CCN(C(C2C(=O)O)(C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)F)CON2CCN(C(C2C(=O)O)(C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H23FN2O7S/c1-14-8-9-16(22)12-15(14)13-31-24-11-10-23(20(27)28)21(2,18(24)19(25)26)32(29,30)17-6-4-3-5-7-17/h3-9,12,18H,10-11,13H2,1-2H3,(H,25,26)(H,27,28)