(5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C20H24ClN3O6S MolecularWeight: 469.93906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)Cl

InChI

InChI=1S/C20H24ClN3O6S/c1-23-18(21)12-22-19(23)13-30-20(25)14-5-7-24(8-6-14)31(26,27)15-3-4-16-17(11-15)29-10-2-9-28-16/h3-4,11-12,14H,2,5-10,13H2,1H3