3,5-dinitro-4-(propylamino)benzenesulfonamide

Systemtic Name: 3,5-dinitro-4-(propylamino)benzenesulfonamide Openeye Name: 3,5-dinitro-4-(propylamino)benzenesulfonamide CAS Name: 3,5-dinitro-4-(propylamino)benzenesulfonamide IUPAC Name: 3,5-dinitro-4-(propylamino)benzenesulfonamide Traditional Name: 3,5-dinitro-4-(propylamino)benzenesulfonamide Formula: C9H12N4O6S MolecularWeight: 304.27978

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O6S/c1-2-3-11-9-7(12(14)15)4-6(20(10,18)19)5-8(9)13(16)17/h4-5,11H,2-3H2,1H3,(H2,10,18,19)