4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-[4-(phenylthio)phenyl]sulfonylisonipecotic acid Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S2/c20-17(21)18(10-12-19-13-11-18)25(22,23)16-8-6-15(7-9-16)24-14-4-2-1-3-5-14/h1-9,19H,10-13H2,(H,20,21)