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

Systemtic Name: tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-ethoxy-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-ethoxy-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-ethoxy-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[1-(4-but-2-ynoxyphenyl)sulfonyl-2-ethoxy-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H33NO7S MolecularWeight: 479.58632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCOC(=O)C(C1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C24H33NO7S/c1-6-8-17-31-19-9-11-20(12-10-19)33(28,29)21(22(26)30-7-2)18-13-15-25(16-14-18)23(27)32-24(3,4)5/h9-12,18,21H,7,13-17H2,1-5H3