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

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-3-methyl-1-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-besyl-4-(4-fluorobenzyl)oxy-3-methyl-piperazine-2-carboxylic acid Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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