4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-enyl-piperidine-4-carboxylic acid

Systemtic Name: 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-enyl-piperidine-4-carboxylic acid Openeye Name: 1-allyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(phenylthio)phenyl]sulfonyl-1-prop-2-enyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-enylpiperidine-4-carboxylic acid Traditional Name: 1-allyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C=CCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S2/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/h2-11H,1,12-16H2,(H,23,24)