ethyl 1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-[4-(phenylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-mesyl-4-[4-(phenylthio)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C21H25NO6S3 MolecularWeight: 483.6213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25NO6S3/c1-3-28-20(23)21(13-15-22(16-14-21)30(2,24)25)31(26,27)19-11-9-18(10-12-19)29-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3