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

Systemtic Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid hydrochloride Openeye Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-piperidine-4-carboxylic acid hydrochloride CAS Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynyl-4-piperidinecarboxylic acid hydrochloride IUPAC Name: 4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylic acid hydrochloride Traditional Name: 4-(4-phenoxyphenyl)sulfonyl-1-propargyl-isonipecotic acid hydrochloride Formula: C21H22ClNO5S MolecularWeight: 435.92108

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S.ClH/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);1H