N-[4-[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]sulfonylphenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]sulfonylphenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylphenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]sulfonylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylphenyl]-3,5-dinitro-benzamide Formula: C26H16N6O12S MolecularWeight: 636.50324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H16N6O12S/c33-25(15-9-19(29(35)36)13-20(10-15)30(37)38)27-17-1-5-23(6-2-17)45(43,44)24-7-3-18(4-8-24)28-26(34)16-11-21(31(39)40)14-22(12-16)32(41)42/h1-14H,(H,27,33)(H,28,34)