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

Systemtic Name: tert-butyl 4-[[4-(4-oxidanylbut-2-ynylamino)phenyl]sulfonylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-hydroxybut-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(hydroxyamino)-oxomethyl]-4-[[4-(4-hydroxybut-2-ynylamino)phenyl]sulfonylmethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-hydroxybut-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[[4-(4-hydroxybut-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)NCC#CCO)C(=O)NO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CS(=O)(=O)C2=CC=C(C=C2)NCC#CCO)C(=O)NO

InChI

InChI=1S/C22H31N3O7S/c1-21(2,3)32-20(28)25-13-10-22(11-14-25,19(27)24-29)16-33(30,31)18-8-6-17(7-9-18)23-12-4-5-15-26/h6-9,23,26,29H,10-16H2,1-3H3,(H,24,27)