N-(2-azanyl-4-methyl-pentyl)-4-fluoranyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-azanyl-4-methyl-pentyl)-4-fluoranyl-2-nitro-benzenesulfonamide Openeye Name: N-(2-amino-4-methyl-pentyl)-4-fluoro-2-nitro-benzenesulfonamide CAS Name: N-(2-amino-4-methylpentyl)-4-fluoro-2-nitrobenzenesulfonamide IUPAC Name: N-(2-amino-4-methylpentyl)-4-fluoro-2-nitrobenzenesulfonamide Traditional Name: N-(2-amino-4-methyl-pentyl)-4-fluoro-2-nitro-benzenesulfonamide Formula: C12H18FN3O4S MolecularWeight: 319.352423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNS(=O)(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CC(CNS(=O)(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-])N

InChI

InChI=1S/C12H18FN3O4S/c1-8(2)5-10(14)7-15-21(19,20)12-4-3-9(13)6-11(12)16(17)18/h3-4,6,8,10,15H,5,7,14H2,1-2H3