1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-N-[2-(4-methylsulfonylphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-mesylphenyl)ethyl]isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H28N4O3S/c1-15-14-16(2)24-21(23-15)25-12-9-18(10-13-25)20(26)22-11-8-17-4-6-19(7-5-17)29(3,27)28/h4-7,14,18H,8-13H2,1-3H3,(H,22,26)