(4-methylsulfanylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-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=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S2/c1-26-18-10-8-16(9-11-18)15-25-20(22)17-6-5-7-19(14-17)27(23,24)21-12-3-2-4-13-21/h5-11,14H,2-4,12-13,15H2,1H3