pentyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: pentyl 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: pentyl 5-[(9,10-dioxo-2-anthryl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(9,10-dioxo-2-anthracenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid pentyl ester IUPAC Name: pentyl 5-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(9,10-diketo-2-anthryl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid amyl ester Formula: C29H25NO7S MolecularWeight: 531.5763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C29H25NO7S/c1-3-4-7-14-36-29(33)26-17(2)37-25-13-10-18(15-24(25)26)30-38(34,35)19-11-12-22-23(16-19)28(32)21-9-6-5-8-20(21)27(22)31/h5-6,8-13,15-16,30H,3-4,7,14H2,1-2H3