1-ethyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-ethyl-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-ethyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-ethyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S2/c1-2-21-14-12-20(13-15-21,19(22)23)27(24,25)18-10-8-17(9-11-18)26-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,22,23)