2-fluoranyl-N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Openeye Name: 2-fluoro-N-isopentyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide CAS Name: 2-fluoro-N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide IUPAC Name: 2-fluoro-N-(3-methylbutyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Traditional Name: 2-fluoro-N-isoamyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide Formula: C20H23FN2O6S MolecularWeight: 438.469823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H23FN2O6S/c1-14(2)7-8-22(30(26,27)19-6-4-3-5-18(19)21)11-15-9-17(23(24)25)10-16-12-28-13-29-20(15)16/h3-6,9-10,14H,7-8,11-13H2,1-2H3