[1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] anthracene-9-carboxylate

Systemtic Name: [1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] anthracene-9-carboxylate Openeye Name: [1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C26H24N2O5S/c1-17(25(29)28-15-14-18-10-12-21(13-11-18)34(27,31)32)33-26(30)24-22-8-4-2-6-19(22)16-20-7-3-5-9-23(20)24/h2-13,16-17H,14-15H2,1H3,(H,28,29)(H2,27,31,32)