ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-piperidin-4-yl-ethanoate

Systemtic Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-piperidin-4-yl-ethanoate Openeye Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-piperidyl)acetate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-piperidinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-piperidin-4-ylacetate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-piperidyl)acetic acid ethyl ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCOC(=O)C(C1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C19H25NO5S/c1-3-5-14-25-16-6-8-17(9-7-16)26(22,23)18(19(21)24-4-2)15-10-12-20-13-11-15/h6-9,15,18,20H,4,10-14H2,1-2H3