tert-butyl 2-azanyl-4-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C18H23F3N4O4S MolecularWeight: 448.45983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H23F3N4O4S/c1-17(2,3)29-16(26)25-11-13(24-15(25)22)5-4-10-23-30(27,28)14-8-6-12(7-9-14)18(19,20)21/h6-9,11,23H,4-5,10H2,1-3H3,(H2,22,24)