(4-methylsulfanylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [4-(methylthio)benzyl] ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-26-17-6-4-15(5-7-17)14-25-19(22)16-8-11-21(12-9-16)27(23,24)18-3-2-10-20-13-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3