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

Systemtic Name: [3-(aminocarbonylamino)-2-(2,4-dichlorophenyl)carbonyl-1-benzofuran-6-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2,4-dichlorobenzoyl)-3-ureido-benzofuran-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(carbamoylamino)-2-[(2,4-dichlorophenyl)-oxomethyl]-6-benzofuranyl] ester IUPAC Name: [3-(carbamoylamino)-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,4-dichlorobenzoyl)-3-ureido-benzofuran-6-yl] ester Formula: C23H16Cl2N2O6S MolecularWeight: 519.35394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=C(O3)C(=O)C4=C(C=C(C=C4)Cl)Cl)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=C(O3)C(=O)C4=C(C=C(C=C4)Cl)Cl)NC(=O)N

InChI

InChI=1S/C23H16Cl2N2O6S/c1-12-2-6-15(7-3-12)34(30,31)33-14-5-9-17-19(11-14)32-22(20(17)27-23(26)29)21(28)16-8-4-13(24)10-18(16)25/h2-11H,1H3,(H3,26,27,29)