N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-1-mesyl-isonipecotamide Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CNC(=O)C3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C19H25N3O6S/c1-26-16-5-4-14(10-18(16)27-2)17-11-15(21-28-17)12-20-19(23)13-6-8-22(9-7-13)29(3,24)25/h4-5,10-11,13H,6-9,12H2,1-3H3,(H,20,23)