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

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-1-ethyl-2-sulfonyl-piperidine-3-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)-1-ethyl-2-sulfonyl-piperidine-3-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-1-ethyl-2-sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)-1-ethyl-2-sulfonylpiperidine-3-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)-1-ethyl-2-sulfonyl-nipecotic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-3-5-13-24-15-9-7-14(8-10-15)18(17(20)21)11-6-12-19(4-2)16(18)25(22)23/h7-10H,4,6,11-13H2,1-2H3,(H,20,21)