2-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]-5-[(4-sulfamoylphenyl)methylcarbamoylamino]benzoic acid

Systemtic Name: 2-[3,6-bis(oxidanyl)-9H-xanthen-9-yl]-5-[(4-sulfamoylphenyl)methylcarbamoylamino]benzoic acid Openeye Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[(4-sulfamoylphenyl)methylcarbamoylamino]benzoic acid CAS Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[[oxo-[(4-sulfamoylphenyl)methylamino]methyl]amino]benzoic acid IUPAC Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[(4-sulfamoylphenyl)methylcarbamoylamino]benzoic acid Traditional Name: 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-[(4-sulfamoylbenzyl)carbamoylamino]benzoic acid Formula: C28H23N3O8S MolecularWeight: 561.56252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NC2=CC(=C(C=C2)C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)NC2=CC(=C(C=C2)C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C28H23N3O8S/c29-40(37,38)19-6-1-15(2-7-19)14-30-28(36)31-16-3-8-20(23(11-16)27(34)35)26-21-9-4-17(32)12-24(21)39-25-13-18(33)5-10-22(25)26/h1-13,26,32-33H,14H2,(H,34,35)(H2,29,37,38)(H2,30,31,36)