1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylisonipecotic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=NC(=NO1)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H21N3O5S/c1-3-15-18-16(19-25-15)13-5-4-11(2)14(10-13)26(23,24)20-8-6-12(7-9-20)17(21)22/h4-5,10,12H,3,6-9H2,1-2H3,(H,21,22)