4-[acridin-9-yloxycarbonyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 4-[acridin-9-yloxycarbonyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 4-[acridin-9-yloxycarbonyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[[9-acridinyloxy(oxo)methyl]-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[acridin-9-yloxycarbonyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[acridin-9-yloxycarbonyl(tosyl)amino]benzoic acid Formula: C28H20N2O6S MolecularWeight: 512.5332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)C(=O)O)C(=O)OC3=C4C=CC=CC4=NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)C(=O)O)C(=O)OC3=C4C=CC=CC4=NC5=CC=CC=C53

InChI

InChI=1S/C28H20N2O6S/c1-18-10-16-21(17-11-18)37(34,35)30(20-14-12-19(13-15-20)27(31)32)28(33)36-26-22-6-2-4-8-24(22)29-25-9-5-3-7-23(25)26/h2-17H,1H3,(H,31,32)