ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-piperidine-3-carboxylate Openeye Name: ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-piperidine-3-carboxylate CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethylpiperidine-3-carboxylate Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-ethyl-nipecotic acid ethyl ester Formula: C20H27NO5S MolecularWeight: 393.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCN1CCCC(C1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C20H27NO5S/c1-4-7-15-26-17-9-11-18(12-10-17)27(23,24)20(19(22)25-6-3)13-8-14-21(5-2)16-20/h9-12H,5-6,8,13-16H2,1-3H3