N-(2-azanylethyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide; ethanoic acid

Systemtic Name: N-(2-azanylethyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide; ethanoic acid Openeye Name: acetic acid; N-(2-aminoethyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide CAS Name: acetic acid; N-(2-aminoethyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: acetic acid; N-(2-aminoethyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide Traditional Name: acetic acid; N-(2-aminoethyl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide Formula: C11H14F3N3O6S MolecularWeight: 373.30557

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)NCCN

Isomeric SMILES

CC(=O)O.C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)NCCN

InChI

InChI=1S/C9H10F3N3O4S.C2H4O2/c10-9(11,12)6-1-2-8(7(5-6)15(16)17)20(18,19)14-4-3-13;1-2(3)4/h1-2,5,14H,3-4,13H2;1H3,(H,3,4)