4-azanyl-3,4-dinitro-N,N-dipropyl-cyclohexa-2,5-diene-1-sulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-azanyl-3,4-dinitro-N,N-dipropyl-cyclohexa-2,5-diene-1-sulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Openeye Name: 4-amino-3,4-dinitro-N,N-dipropyl-cyclohexa-2,5-diene-1-sulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide CAS Name: 4-amino-3,4-dinitro-N,N-dipropyl-1-cyclohexa-2,5-dienesulfonamide; 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-amino-3,4-dinitro-N,N-dipropylcyclohexa-2,5-diene-1-sulfonamide; 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide Traditional Name: 4-amino-3,4-dinitro-N,N-dipropyl-cyclohexa-2,5-diene-1-sulfonamide; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Formula: C24H38N8O12S2 MolecularWeight: 694.73492

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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)C1C=CC(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)C1C=CC(C(=C1)[N+](=O)[O-])(N)[N+](=O)[O-]

InChI

InChI=1S/C12H20N4O6S.C12H18N4O6S/c1-3-7-14(8-4-2)23(21,22)10-5-6-12(13,16(19)20)11(9-10)15(17)18;1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h5-6,9-10H,3-4,7-8,13H2,1-2H3;7-8H,3-6H2,1-2H3,(H2,13,21,22)