N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[(4-methylphenyl)sulfonylamino]-5-nitro-benzamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[(4-methylphenyl)sulfonylamino]-5-nitro-benzamide Openeye Name: N-(9,10-dioxo-1-anthryl)-5-nitro-2-(p-tolylsulfonylamino)benzamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide Traditional Name: N-(9,10-diketo-1-anthryl)-5-nitro-2-(tosylamino)benzamide Formula: C28H19N3O7S MolecularWeight: 541.53136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H19N3O7S/c1-16-9-12-18(13-10-16)39(37,38)30-23-14-11-17(31(35)36)15-22(23)28(34)29-24-8-4-7-21-25(24)27(33)20-6-3-2-5-19(20)26(21)32/h2-15,30H,1H3,(H,29,34)