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

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-(3-fluoro-4-methyl-phenyl)methanone Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C20H21FN2O5S/c1-14-2-3-15(12-17(14)21)20(24)22-6-8-23(9-7-22)29(25,26)16-4-5-18-19(13-16)28-11-10-27-18/h2-5,12-13H,6-11H2,1H3