ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-ethanoylpiperidin-4-yl)ethanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(1-ethanoylpiperidin-4-yl)ethanoate Openeye Name: ethyl 2-(1-acetyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetate CAS Name: 2-(1-acetyl-4-piperidinyl)-2-(4-but-2-ynoxyphenyl)sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-(1-acetylpiperidin-4-yl)-2-(4-but-2-ynoxyphenyl)sulfonylacetate Traditional Name: 2-(1-acetyl-4-piperidyl)-2-(4-but-2-ynoxyphenyl)sulfonyl-acetic acid ethyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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