(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C23H25N3O7S MolecularWeight: 487.5255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N3O7S/c1-2-26-19-5-4-17(34(28,29)25-7-9-30-10-8-25)14-18(19)24-22(26)15-33-23(27)16-3-6-20-21(13-16)32-12-11-31-20/h3-6,13-14H,2,7-12,15H2,1H3