(4-methylsulfanylphenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid [4-(methylthio)benzyl] ester Formula: C22H25NO5S2 MolecularWeight: 447.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25NO5S2/c1-16(24)18-8-12-20(13-9-18)30(26,27)23-14-4-3-5-21(23)22(25)28-15-17-6-10-19(29-2)11-7-17/h6-13,21H,3-5,14-15H2,1-2H3