4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid Openeye Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid CAS Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylic acid Traditional Name: 4-(4-phenoxyphenyl)sulfonyl-1-propargyl-isonipecotic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C#CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-2-14-22-15-12-21(13-16-22,20(23)24)28(25,26)19-10-8-18(9-11-19)27-17-6-4-3-5-7-17/h1,3-11H,12-16H2,(H,23,24)