ethyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-oxidanylbut-2-ynyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-oxidanylbut-2-ynyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-hydroxybut-2-ynyl)piperidine-4-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-hydroxybut-2-ynyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-hydroxybut-2-ynyl)piperidine-4-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-hydroxybut-2-ynyl)isonipecotic acid ethyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC#CCO)CS(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC#CCO)CS(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C23H29NO6S/c1-3-5-18-30-20-8-10-21(11-9-20)31(27,28)19-23(22(26)29-4-2)12-15-24(16-13-23)14-6-7-17-25/h8-11,25H,4,12-19H2,1-2H3