1-methyl-4-[[1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxycarbonylamino]imidazol-2-yl]carbonylamino]pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[[1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxycarbonylamino]imidazol-2-yl]carbonylamino]pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-[[1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[[[1-methyl-4-[[oxo-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxy]methyl]amino]-2-imidazolyl]-oxomethyl]amino]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-[[1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-[[1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfonylethoxycarbonylamino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylic acid Formula: C21H20F3N5O7S MolecularWeight: 543.47301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)NC(=O)C2=NC(=CN2C)NC(=O)OCCS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)O)NC(=O)C2=NC(=CN2C)NC(=O)OCCS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O7S/c1-28-10-13(9-15(28)19(31)32)25-18(30)17-26-16(11-29(17)2)27-20(33)36-7-8-37(34,35)14-5-3-12(4-6-14)21(22,23)24/h3-6,9-11H,7-8H2,1-2H3,(H,25,30)(H,27,33)(H,31,32)