N-butyl-2-methoxy-5-[[8-nitro-4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonamide

Systemtic Name: N-butyl-2-methoxy-5-[[8-nitro-4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonamide Openeye Name: N-butyl-5-[(4,5-dihydroxy-8-nitro-9,10-dioxo-1-anthryl)amino]-2-methoxy-benzenesulfonamide CAS Name: N-butyl-5-[(4,5-dihydroxy-8-nitro-9,10-dioxo-1-anthracenyl)amino]-2-methoxybenzenesulfonamide IUPAC Name: N-butyl-5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]-2-methoxybenzenesulfonamide Traditional Name: N-butyl-5-[(4,5-dihydroxy-9,10-diketo-8-nitro-1-anthryl)amino]-2-methoxy-benzenesulfonamide Formula: C25H23N3O9S MolecularWeight: 541.52982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=C(C=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O)OC

Isomeric SMILES

CCCCNS(=O)(=O)C1=C(C=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O)OC

InChI

InChI=1S/C25H23N3O9S/c1-3-4-11-26-38(35,36)19-12-13(5-10-18(19)37-2)27-14-6-8-16(29)22-20(14)24(31)21-15(28(33)34)7-9-17(30)23(21)25(22)32/h5-10,12,26-27,29-30H,3-4,11H2,1-2H3