[4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-butanoyl-amino]phenyl] butanoate

Systemtic Name: [4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-butanoyl-amino]phenyl] butanoate Openeye Name: [4-[butanoyl-[(9,10-dioxo-2-anthryl)sulfonyl]amino]phenyl] butanoate CAS Name: butanoic acid [4-[(9,10-dioxo-2-anthracenyl)sulfonyl-(1-oxobutyl)amino]phenyl] ester IUPAC Name: [4-[butanoyl-(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl] butanoate Traditional Name: butyric acid [4-[butyryl-[(9,10-diketo-2-anthryl)sulfonyl]amino]phenyl] ester Formula: C28H25NO7S MolecularWeight: 519.5656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=C(C=C1)OC(=O)CCC)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCC(=O)N(C1=CC=C(C=C1)OC(=O)CCC)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H25NO7S/c1-3-7-25(30)29(18-11-13-19(14-12-18)36-26(31)8-4-2)37(34,35)20-15-16-23-24(17-20)28(33)22-10-6-5-9-21(22)27(23)32/h5-6,9-17H,3-4,7-8H2,1-2H3