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

Systemtic Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-phenyl]sulfonylisonipecotic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC3)S(=O)(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC3)S(=O)(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C18H21N3O5S/c1-11-2-3-14(16-19-17(26-20-16)12-4-5-12)10-15(11)27(24,25)21-8-6-13(7-9-21)18(22)23/h2-3,10,12-13H,4-9H2,1H3,(H,22,23)