(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=NO2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H21N3O7S2/c25-21(30-13-19-22-20(23-31-19)18-2-1-11-32-18)14-5-7-24(8-6-14)33(26,27)15-3-4-16-17(12-15)29-10-9-28-16/h1-4,11-12,14H,5-10,13H2