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

Systemtic Name: (phenylmethyl) 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C31H21NO7S MolecularWeight: 551.56594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C31H21NO7S/c1-18-28(31(35)38-17-19-7-3-2-4-8-19)26-15-20(11-14-27(26)39-18)32-40(36,37)21-12-13-24-25(16-21)30(34)23-10-6-5-9-22(23)29(24)33/h2-16,32H,17H2,1H3