1-azanyl-N-[3,4-bis(oxidanyl)butyl]-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide

Systemtic Name: 1-azanyl-N-[3,4-bis(oxidanyl)butyl]-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonamide Openeye Name: 1-amino-4-bromo-N-(3,4-dihydroxybutyl)-9,10-dioxo-anthracene-2-sulfonamide CAS Name: 1-amino-4-bromo-N-(3,4-dihydroxybutyl)-9,10-dioxo-2-anthracenesulfonamide IUPAC Name: 1-amino-4-bromo-N-(3,4-dihydroxybutyl)-9,10-dioxoanthracene-2-sulfonamide Traditional Name: 1-amino-4-bromo-N-(3,4-dihydroxybutyl)-9,10-diketo-anthracene-2-sulfonamide Formula: C18H17BrN2O6S MolecularWeight: 469.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)NCCC(CO)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)NCCC(CO)O)Br

InChI

InChI=1S/C18H17BrN2O6S/c19-12-7-13(28(26,27)21-6-5-9(23)8-22)16(20)15-14(12)17(24)10-3-1-2-4-11(10)18(15)25/h1-4,7,9,21-23H,5-6,8,20H2