4-azanyl-3,5-dinitro-N,N-dipropyl-benzenesulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-azanyl-3,5-dinitro-N,N-dipropyl-benzenesulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Openeye Name: 4-amino-3,5-dinitro-N,N-dipropyl-benzenesulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide CAS Name: 4-amino-3,5-dinitro-N,N-dipropylbenzenesulfonamide; 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-amino-3,5-dinitro-N,N-dipropylbenzenesulfonamide; 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide Traditional Name: 4-amino-3,5-dinitro-N,N-dipropyl-benzenesulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Formula: C24H36N8O12S2 MolecularWeight: 692.71904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20;1-3-5-14(6-4-2)23(21,22)9-7-10(15(17)18)12(13)11(8-9)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22);7-8H,3-6,13H2,1-2H3