N-[4-azanyl-3-bromanyl-8-nitro-9,10-bis(oxidanylidene)anthracen-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-azanyl-3-bromanyl-8-nitro-9,10-bis(oxidanylidene)anthracen-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-(4-amino-3-bromo-8-nitro-9,10-dioxo-1-anthryl)-4-methyl-benzenesulfonamide CAS Name: N-(4-amino-3-bromo-8-nitro-9,10-dioxo-1-anthracenyl)-4-methylbenzenesulfonamide IUPAC Name: N-(4-amino-3-bromo-8-nitro-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide Traditional Name: N-(4-amino-3-bromo-9,10-diketo-8-nitro-1-anthryl)-4-methyl-benzenesulfonamide Formula: C21H14BrN3O6S MolecularWeight: 516.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4[N+](=O)[O-])N)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4[N+](=O)[O-])N)Br

InChI

InChI=1S/C21H14BrN3O6S/c1-10-5-7-11(8-6-10)32(30,31)24-14-9-13(22)19(23)18-17(14)21(27)16-12(20(18)26)3-2-4-15(16)25(28)29/h2-9,24H,23H2,1H3