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

Systemtic Name: 2-methoxyethyl (3S)-4-[4-(4-cyanophenoxy)-3-fluoranyl-phenyl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: 2-methoxyethyl (3S)-4-[4-(4-cyanophenoxy)-3-fluoro-phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate CAS Name: (3S)-4-[4-(4-cyanophenoxy)-3-fluorophenyl]sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3S)-4-[4-(4-cyanophenoxy)-3-fluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate Traditional Name: (3S)-4-[4-(4-cyanophenoxy)-3-fluoro-phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C22H23FN4O8S MolecularWeight: 522.503423

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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)C#N)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)C#N)F

InChI

InChI=1S/C22H23FN4O8S/c1-33-10-11-34-22(29)26-8-9-27(19(14-26)21(28)25-30)36(31,32)17-6-7-20(18(23)12-17)35-16-4-2-15(13-24)3-5-16/h2-7,12,19,30H,8-11,14H2,1H3,(H,25,28)/t19-/m0/s1