tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methanoyl-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2-methanoyl-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2-formyl-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-formyl-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfonyl-2-formyl-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2-formyl-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N2O8S MolecularWeight: 480.53132

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(C(C2)C=O)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(C(C2)C=O)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C22H28N2O8S/c1-5-6-13-31-17-7-9-18(10-8-17)33(29,30)22(19(26)23-28)11-12-24(16(14-22)15-25)20(27)32-21(2,3)4/h7-10,15-16,28H,11-14H2,1-4H3,(H,23,26)