2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(3-fluorophenyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(3-fluorophenyl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C22H23FN4O5S MolecularWeight: 474.505223

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCCN3C=CN=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NCCCN3C=CN=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4O5S/c23-17-3-1-4-18(13-17)27(15-22(28)25-7-2-9-26-10-8-24-16-26)33(29,30)19-5-6-20-21(14-19)32-12-11-31-20/h1,3-6,8,10,13-14,16H,2,7,9,11-12,15H2,(H,25,28)