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

Systemtic Name: N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[[5-(p-tolyl)isoxazol-3-yl]methyl]piperidine-4-carboxamide CAS Name: N-[[5-(4-methylphenyl)-3-isoxazolyl]methyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[[5-(p-tolyl)isoxazol-3-yl]methyl]isonipecotamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O4S/c1-13-3-5-14(6-4-13)17-11-16(20-25-17)12-19-18(22)15-7-9-21(10-8-15)26(2,23)24/h3-6,11,15H,7-10,12H2,1-2H3,(H,19,22)