(2R)-1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-2-carboxamide

Systemtic Name: (2R)-1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-2-carboxamide Openeye Name: (2R)-N-(3-methylsulfanylphenyl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-N-[3-(methylthio)phenyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-2-carboxamide Traditional Name: (2R)-N-[3-(methylthio)phenyl]-1-tosyl-pipecolinamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H24N2O3S2/c1-15-9-11-18(12-10-15)27(24,25)22-13-4-3-8-19(22)20(23)21-16-6-5-7-17(14-16)26-2/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3,(H,21,23)/t19-/m1/s1