(4-methylsulfanylphenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic 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)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

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