(4-methylsulfanylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic 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)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S2/c1-26-18-9-7-16(8-10-18)15-25-20(22)17-11-13-21(14-12-17)27(23,24)19-5-3-2-4-6-19/h2-10,17H,11-15H2,1H3