4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid Openeye Name: 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid CAS Name: 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-4-piperidinecarboxylic acid IUPAC Name: 4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylic acid Traditional Name: 4-(3-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=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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