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

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-2-methyl-2-(phenylsulfonyl)piperazine-1,3-dicarboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 2-besyl-4-(4-fluorobenzyl)oxy-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCN1C(=O)O)OCC2=CC=C(C=C2)F)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1(C(N(CCN1C(=O)O)OCC2=CC=C(C=C2)F)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21FN2O7S/c1-20(31(28,29)16-5-3-2-4-6-16)17(18(24)25)23(12-11-22(20)19(26)27)30-13-14-7-9-15(21)10-8-14/h2-10,17H,11-13H2,1H3,(H,24,25)(H,26,27)