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

Systemtic Name: 3,5-dinitro-4-(3-oxidanylbutylamino)benzenesulfonamide Openeye Name: 4-(3-hydroxybutylamino)-3,5-dinitro-benzenesulfonamide CAS Name: 4-(3-hydroxybutylamino)-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-(3-hydroxybutylamino)-3,5-dinitrobenzenesulfonamide Traditional Name: 4-(3-hydroxybutylamino)-3,5-dinitro-benzenesulfonamide Formula: C10H14N4O7S MolecularWeight: 334.30576

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])O

Isomeric SMILES

CC(CCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])O

InChI

InChI=1S/C10H14N4O7S/c1-6(15)2-3-12-10-8(13(16)17)4-7(22(11,20)21)5-9(10)14(18)19/h4-6,12,15H,2-3H2,1H3,(H2,11,20,21)