4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylbenzenesulfonamide

Systemtic Name: 4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylbenzenesulfonamide Openeye Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)sulfanyl]benzenesulfonamide CAS Name: 4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)thio]benzenesulfonamide IUPAC Name: 4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)sulfanylbenzenesulfonamide Traditional Name: 4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)thio]benzenesulfonamide Formula: C20H14N2O5S2 MolecularWeight: 426.46556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SC4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C20H14N2O5S2/c21-18-15(28-10-5-7-11(8-6-10)29(22,26)27)9-14(23)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,21H2,(H2,22,26,27)