4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylic acid Openeye Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-piperidine-4-carboxylic acid CAS Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynyl-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-prop-2-ynylpiperidine-4-carboxylic acid Traditional Name: 4-[(4-phenoxyphenyl)sulfonylmethyl]-1-propargyl-isonipecotic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-2-14-23-15-12-22(13-16-23,21(24)25)17-29(26,27)20-10-8-19(9-11-20)28-18-6-4-3-5-7-18/h1,3-11H,12-17H2,(H,24,25)