(4-methylsulfanylphenyl)methyl 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [4-(methylthio)benzyl] ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23NO4S2/c1-26-17-11-9-16(10-12-17)15-25-20(22)18-7-3-4-8-19(18)27(23,24)21-13-5-2-6-14-21/h3-4,7-12H,2,5-6,13-15H2,1H3