3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-(trifluoromethylsulfonylamino)propanoate

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-2-(trifluoromethylsulfonylamino)propanoate Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]-2-(trifluoromethylsulfonylamino)propanoate CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]-2-(trifluoromethylsulfonylamino)propanoate IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]-2-(trifluoromethylsulfonylamino)propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]-2-(triflylamino)propionate Formula: C20H16F3N4O6S- MolecularWeight: 497.42445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NS(=O)(=O)C(F)(F)F)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)[O-])NS(=O)(=O)C(F)(F)F)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C20H17F3N4O6S/c21-20(22,23)34(31,32)27-14(19(29)30)7-10-1-4-13(5-2-10)26-18(28)16-9-12-8-11(17(24)25)3-6-15(12)33-16/h1-6,8-9,14,27H,7H2,(H3,24,25)(H,26,28)(H,29,30)/p-1