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

Systemtic Name: 4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-3-methyl-1-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(5-fluoro-2-methyl-phenyl)methoxy]-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-besyl-4-(5-fluoro-2-methyl-benzyl)oxy-3-methyl-piperazine-2-carboxylic acid Formula: C20H23FN2O5S MolecularWeight: 422.470423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1OCC2=C(C=CC(=C2)F)C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CCN1OCC2=C(C=CC(=C2)F)C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H23FN2O5S/c1-14-8-9-17(21)12-16(14)13-28-22-10-11-23(19(15(22)2)20(24)25)29(26,27)18-6-4-3-5-7-18/h3-9,12,15,19H,10-11,13H2,1-2H3,(H,24,25)