3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide

Systemtic Name: 3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide Openeye Name: 4-(1-ethylpropylamino)-3,5-dinitro-benzenesulfonamide CAS Name: 3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide IUPAC Name: 3,5-dinitro-4-(pentan-3-ylamino)benzenesulfonamide Traditional Name: 4-(1-ethylpropylamino)-3,5-dinitro-benzenesulfonamide Formula: C11H16N4O6S MolecularWeight: 332.33294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O6S/c1-3-7(4-2)13-11-9(14(16)17)5-8(22(12,20)21)6-10(11)15(18)19/h5-7,13H,3-4H2,1-2H3,(H2,12,20,21)