2-methoxyethyl (3S)-4-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: 2-methoxyethyl (3S)-4-[4-(4-fluoranylphenoxy)phenyl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl (3S)-4-[4-(4-fluorophenoxy)phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate CAS Name: (3S)-4-[4-(4-fluorophenoxy)phenyl]sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3S)-4-[4-(4-fluorophenoxy)phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate Traditional Name: (3S)-4-[4-(4-fluorophenoxy)phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C21H24FN3O8S MolecularWeight: 497.493963

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

COCCOC(=O)N1CCN([C@@H](C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O8S/c1-31-12-13-32-21(27)24-10-11-25(19(14-24)20(26)23-28)34(29,30)18-8-6-17(7-9-18)33-16-4-2-15(22)3-5-16/h2-9,19,28H,10-14H2,1H3,(H,23,26)/t19-/m0/s1