(1-ethanoylpiperidin-4-yl) 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate

Systemtic Name: (1-ethanoylpiperidin-4-yl) 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate Openeye Name: (1-acetyl-4-piperidyl) 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonylbutanoic acid (1-acetyl-4-piperidinyl) ester IUPAC Name: (1-acetylpiperidin-4-yl) 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonylbutyric acid (1-acetyl-4-piperidyl) ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCN(CC1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(C(=O)OC1CCN(CC1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C21H27NO6S/c1-4-6-15-27-17-7-9-19(10-8-17)29(25,26)20(5-2)21(24)28-18-11-13-22(14-12-18)16(3)23/h7-10,18,20H,5,11-15H2,1-3H3