(4-methylsulfanylphenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [4-(methylthio)benzyl] ester Formula: C20H22ClNO4S2 MolecularWeight: 439.97598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22ClNO4S2/c1-27-17-8-5-15(6-9-17)14-26-20(23)16-7-10-18(21)19(13-16)28(24,25)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3