tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-(oxidanylamino)-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-(oxidanylamino)-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-(hydroxyamino)-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-(hydroxyamino)-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-(hydroxyamino)-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-(hydroxyamino)-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C22H30N2O7S/c1-5-6-15-30-17-7-9-18(10-8-17)32(28,29)19(20(25)23-27)16-11-13-24(14-12-16)21(26)31-22(2,3)4/h7-10,16,19,27H,11-15H2,1-4H3,(H,23,25)