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

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-2-methyl-3-(oxidanylcarbamoyl)-2-(phenylsulfonyl)piperazine-1-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-(hydroxycarbamoyl)-2-methyl-piperazine-1-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-[(hydroxyamino)-oxomethyl]-2-methyl-1-piperazinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-(hydroxycarbamoyl)-2-methylpiperazine-1-carboxylic acid Traditional Name: 2-besyl-4-(4-fluorobenzyl)oxy-3-(hydroxycarbamoyl)-2-methyl-piperazine-1-carboxylic acid Formula: C20H22FN3O7S MolecularWeight: 467.467983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCN1C(=O)O)OCC2=CC=C(C=C2)F)C(=O)NO)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1(C(N(CCN1C(=O)O)OCC2=CC=C(C=C2)F)C(=O)NO)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22FN3O7S/c1-20(32(29,30)16-5-3-2-4-6-16)17(18(25)22-28)24(12-11-23(20)19(26)27)31-13-14-7-9-15(21)10-8-14/h2-10,17,28H,11-13H2,1H3,(H,22,25)(H,26,27)