tert-butyl 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C22H31N3O6S/c1-5-6-13-23-17-7-9-18(10-8-17)32(29,30)16-22(19(26)24-28)11-14-25(15-12-22)20(27)31-21(2,3)4/h7-10,23,28H,11-16H2,1-4H3,(H,24,26)