methyl 2-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-(4-methylsulfanylbenzoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-[4-(methylthio)benzoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCC(C2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23NO5S2/c1-27-21(24)18-7-3-4-8-19(18)29(25,26)22-13-5-6-16(14-22)20(23)15-9-11-17(28-2)12-10-15/h3-4,7-12,16H,5-6,13-14H2,1-2H3