tert-butyl [4-(4-but-2-ynoxyphenyl)sulfanyl-4-(oxidanylcarbamoyl)piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [4-(4-but-2-ynoxyphenyl)sulfanyl-4-(oxidanylcarbamoyl)piperidin-1-yl] carbonate Openeye Name: tert-butyl [4-(4-but-2-ynoxyphenyl)sulfanyl-4-(hydroxycarbamoyl)-1-piperidyl] carbonate CAS Name: carbonic acid tert-butyl [4-[(4-but-2-ynoxyphenyl)thio]-4-[(hydroxyamino)-oxomethyl]-1-piperidinyl] ester IUPAC Name: tert-butyl [4-(4-but-2-ynoxyphenyl)sulfanyl-4-(hydroxycarbamoyl)piperidin-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [4-[(4-but-2-ynoxyphenyl)thio]-4-(hydroxycarbamoyl)piperidino] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC2(CCN(CC2)OC(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC2(CCN(CC2)OC(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C21H28N2O6S/c1-5-6-15-27-16-7-9-17(10-8-16)30-21(18(24)22-26)11-13-23(14-12-21)29-19(25)28-20(2,3)4/h7-10,26H,11-15H2,1-4H3,(H,22,24)