N-[1-(1-adamantyl)-2-oxidanylidene-2-[[1,1,3,3-tetrakis(oxidanylidene)-1$l^{6},3$l^{6},2-benzodithiazol-2-yl]amino]ethyl]-4-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)-2-oxidanylidene-2-[[1,1,3,3-tetrakis(oxidanylidene)-1$l^{6},3$l^{6},2-benzodithiazol-2-yl]amino]ethyl]-4-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1$l^{6},3$l^{6},2-benzodithiazol-2-yl)amino]ethyl]-4-nitro-benzamide CAS Name: N-[1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1$l^{6},3$l^{6},2-benzodithiazol-2-yl)amino]ethyl]-4-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)-2-oxo-2-[(1,1,3,3-tetraoxo-1$l^{6},3$l^{6},2-benzodithiazol-2-yl)amino]ethyl]-4-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)-2-keto-2-[(1,1,3,3-tetraketo-1$l^{6},3$l^{6},2-benzodithiazol-2-yl)amino]ethyl]-4-nitro-benzamide Formula: C25H26N4O8S2 MolecularWeight: 574.62594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)NN4S(=O)(=O)C5=CC=CC=C5S4(=O)=O)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C(=O)NN4S(=O)(=O)C5=CC=CC=C5S4(=O)=O)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O8S2/c30-23(18-5-7-19(8-6-18)28(32)33)26-22(25-12-15-9-16(13-25)11-17(10-15)14-25)24(31)27-29-38(34,35)20-3-1-2-4-21(20)39(29,36)37/h1-8,15-17,22H,9-14H2,(H,26,30)(H,27,31)