1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 1-(2-methoxyethyl)-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methoxyethyl)-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2-methoxyethyl)-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

COCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25NO5S2/c1-27-16-15-22-13-11-21(12-14-22,20(23)24)29(25,26)19-9-7-18(8-10-19)28-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,24)