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

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-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 (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-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 (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C19H22ClN3O6S MolecularWeight: 455.91248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C19H22ClN3O6S/c1-22-17(20)11-21-18(22)12-29-19(24)13-4-6-23(7-5-13)30(25,26)14-2-3-15-16(10-14)28-9-8-27-15/h2-3,10-11,13H,4-9,12H2,1H3