2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C21H24FN3O5S/c1-15-2-3-16(12-18(15)22)23-21(26)14-24-6-8-25(9-7-24)31(27,28)17-4-5-19-20(13-17)30-11-10-29-19/h2-5,12-13H,6-11,14H2,1H3,(H,23,26)