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

Systemtic Name: N-(1-adamantyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(3-fluorophenyl)amino]ethanamide Openeye Name: N-(1-adamantyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]acetamide CAS Name: N-(1-adamantyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide IUPAC Name: N-(1-adamantyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide Traditional Name: N-(1-adamantyl)-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoro-anilino]acetamide Formula: C26H29FN2O5S MolecularWeight: 500.582263

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC(=CC=C6)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC(=CC=C6)F

InChI

InChI=1S/C26H29FN2O5S/c27-20-2-1-3-21(11-20)29(35(31,32)22-4-5-23-24(12-22)34-7-6-33-23)16-25(30)28-26-13-17-8-18(14-26)10-19(9-17)15-26/h1-5,11-12,17-19H,6-10,13-16H2,(H,28,30)