but-2-ynoxybenzene; ethyl 1-(4-oxidanylbut-2-ynyl)-4-(sulfonylmethyl)piperidine-4-carboxylate

Systemtic Name: but-2-ynoxybenzene; ethyl 1-(4-oxidanylbut-2-ynyl)-4-(sulfonylmethyl)piperidine-4-carboxylate Openeye Name: but-2-ynoxybenzene; ethyl 1-(4-hydroxybut-2-ynyl)-4-(sulfonylmethyl)piperidine-4-carboxylate CAS Name: but-2-ynoxybenzene; 1-(4-hydroxybut-2-ynyl)-4-(sulfonylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: but-2-ynoxybenzene; ethyl 1-(4-hydroxybut-2-ynyl)-4-(sulfonylmethyl)piperidine-4-carboxylate Traditional Name: but-2-ynoxybenzene; 1-(4-hydroxybut-2-ynyl)-4-(sulfonylmethyl)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)C=S(=O)=O.CC#CCOC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC#CCO)C=S(=O)=O.CC#CCOC1=CC=CC=C1

InChI

InChI=1S/C13H19NO5S.C10H10O/c1-2-19-12(16)13(11-20(17)18)5-8-14(9-6-13)7-3-4-10-15;1-2-3-9-11-10-7-5-4-6-8-10/h11,15H,2,5-10H2,1H3;4-8H,9H2,1H3