[3-(aminocarbonylamino)-2-(2,4-dichlorophenyl)carbonyl-1-benzofuran-6-yl] quinoline-8-sulfonate

Systemtic Name: [3-(aminocarbonylamino)-2-(2,4-dichlorophenyl)carbonyl-1-benzofuran-6-yl] quinoline-8-sulfonate Openeye Name: [2-(2,4-dichlorobenzoyl)-3-ureido-benzofuran-6-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [3-(carbamoylamino)-2-[(2,4-dichlorophenyl)-oxomethyl]-6-benzofuranyl] ester IUPAC Name: [3-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(2,4-dichlorobenzoyl)-3-ureido-benzofuran-6-yl] ester Formula: C25H15Cl2N3O6S MolecularWeight: 556.3741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)OC3=CC4=C(C=C3)C(=C(O4)C(=O)C5=C(C=C(C=C5)Cl)Cl)NC(=O)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)OC3=CC4=C(C=C3)C(=C(O4)C(=O)C5=C(C=C(C=C5)Cl)Cl)NC(=O)N)N=CC=C2

InChI

InChI=1S/C25H15Cl2N3O6S/c26-14-6-8-16(18(27)11-14)23(31)24-22(30-25(28)32)17-9-7-15(12-19(17)35-24)36-37(33,34)20-5-1-3-13-4-2-10-29-21(13)20/h1-12H,(H3,28,30,32)