tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[[(4-but-2-ynoxyphenyl)thio]methyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-but-2-ynoxyphenyl)sulfanylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[[(4-but-2-ynoxyphenyl)thio]methyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SCC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SCC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C22H30N2O5S/c1-5-6-15-28-17-7-9-18(10-8-17)30-16-22(19(25)23-27)11-13-24(14-12-22)20(26)29-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)