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

Systemtic Name: 1-ethanoyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-acetyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-acetyl-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-acetyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c1-15(22)21-13-11-20(12-14-21,19(23)24)28(25,26)18-9-7-17(8-10-18)27-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,24)