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

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-4-(oxidanylcarbamoyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-4-(hydroxycarbamoyl)piperidine-1-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)thio]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-4-(hydroxycarbamoyl)piperidine-1-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)thio]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-5-6-15-27-16-7-9-17(10-8-16)29-21(18(24)22-26)11-13-23(14-12-21)19(25)28-20(2,3)4/h7-10,26H,11-15H2,1-4H3,(H,22,24)