[1-(phenylcarbonyl)piperidin-4-yl] 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate

Systemtic Name: [1-(phenylcarbonyl)piperidin-4-yl] 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate Openeye Name: (1-benzoyl-4-piperidyl) 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonylbutanoic acid (1-benzoyl-4-piperidinyl) ester IUPAC Name: (1-benzoylpiperidin-4-yl) 2-(4-but-2-ynoxyphenyl)sulfonylbutanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonylbutyric acid (1-benzoyl-4-piperidyl) ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCN(CC1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCC(C(=O)OC1CCN(CC1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

InChI=1S/C26H29NO6S/c1-3-5-19-32-21-11-13-23(14-12-21)34(30,31)24(4-2)26(29)33-22-15-17-27(18-16-22)25(28)20-9-7-6-8-10-20/h6-14,22,24H,4,15-19H2,1-2H3