N-[4-[bis(2-cyanoethyl)amino]phenyl]-4-oxidanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonamide

Systemtic Name: N-[4-[bis(2-cyanoethyl)amino]phenyl]-4-oxidanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonamide Openeye Name: N-[4-[bis(2-cyanoethyl)amino]phenyl]-4-hydroxy-9,10-dioxo-anthracene-1-sulfonamide CAS Name: N-[4-[bis(2-cyanoethyl)amino]phenyl]-4-hydroxy-9,10-dioxo-1-anthracenesulfonamide IUPAC Name: N-[4-[bis(2-cyanoethyl)amino]phenyl]-4-hydroxy-9,10-dioxoanthracene-1-sulfonamide Traditional Name: N-[4-[bis(2-cyanoethyl)amino]phenyl]-4-hydroxy-9,10-diketo-anthracene-1-sulfonamide Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)S(=O)(=O)NC4=CC=C(C=C4)N(CCC#N)CCC#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)S(=O)(=O)NC4=CC=C(C=C4)N(CCC#N)CCC#N)O

InChI

InChI=1S/C26H20N4O5S/c27-13-3-15-30(16-4-14-28)18-9-7-17(8-10-18)29-36(34,35)22-12-11-21(31)23-24(22)26(33)20-6-2-1-5-19(20)25(23)32/h1-2,5-12,29,31H,3-4,15-16H2