4-[(3-azanyl-2,4,6-trinitro-phenyl)amino]benzenesulfonamide

Systemtic Name: 4-[(3-azanyl-2,4,6-trinitro-phenyl)amino]benzenesulfonamide Openeye Name: 4-(3-amino-2,4,6-trinitro-anilino)benzenesulfonamide CAS Name: 4-(3-amino-2,4,6-trinitroanilino)benzenesulfonamide IUPAC Name: 4-(3-amino-2,4,6-trinitroanilino)benzenesulfonamide Traditional Name: 4-(3-amino-2,4,6-trinitro-anilino)benzenesulfonamide Formula: C12H10N6O8S MolecularWeight: 398.3082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C(=C2[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C12H10N6O8S/c13-10-8(16(19)20)5-9(17(21)22)11(12(10)18(23)24)15-6-1-3-7(4-2-6)27(14,25)26/h1-5,15H,13H2,(H2,14,25,26)