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

Systemtic Name: 4-[(4-fluoranyl-2-methyl-phenyl)methoxy]-3-methyl-5-oxidanylidene-1-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(4-fluoro-2-methyl-phenyl)methoxy]-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-besyl-4-(4-fluoro-2-methyl-benzyl)oxy-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC(=O)N1OCC2=C(C=C(C=C2)F)C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CC(=O)N1OCC2=C(C=C(C=C2)F)C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21FN2O6S/c1-13-10-16(21)9-8-15(13)12-29-23-14(2)19(20(25)26)22(11-18(23)24)30(27,28)17-6-4-3-5-7-17/h3-10,14,19H,11-12H2,1-2H3,(H,25,26)