ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(phenylcarbonyl)piperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-[1-(phenylcarbonyl)piperidin-4-yl]ethanoate Openeye Name: ethyl 2-(1-benzoyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetate CAS Name: 2-(1-benzoyl-4-piperidinyl)-2-(4-but-2-ynoxyphenyl)sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzoylpiperidin-4-yl)-2-(4-but-2-ynoxyphenyl)sulfonylacetate Traditional Name: 2-(1-benzoyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid ethyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCN(CC1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

Isomeric SMILES

CCOC(=O)C(C1CCN(CC1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC#CC

InChI

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