N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-1-mesyl-isonipecotamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-15-4-5-16(2)19(12-15)28-20-7-6-17(13-22-20)14-23-21(25)18-8-10-24(11-9-18)29(3,26)27/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,23,25)