N-(3-methylsulfanylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H20N2O3S2/c1-20-13-5-3-4-12(10-13)15-14(17)11-6-8-16(9-7-11)21(2,18)19/h3-5,10-11H,6-9H2,1-2H3,(H,15,17)