4-(3-imidazol-1-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid

Systemtic Name: 4-(3-imidazol-1-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Openeye Name: 4-(3-imidazol-1-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid CAS Name: 4-[3-(1-imidazolyl)propyl]-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid IUPAC Name: 4-(3-imidazol-1-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]octanoic acid Traditional Name: 4-(3-imidazol-1-ylpropyl)-8-[[4-(trifluoromethyl)phenyl]sulfonylamino]caprylic acid Formula: C21H28F3N3O4S MolecularWeight: 475.52493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

InChI

InChI=1S/C21H28F3N3O4S/c22-21(23,24)18-7-9-19(10-8-18)32(30,31)26-12-2-1-4-17(6-11-20(28)29)5-3-14-27-15-13-25-16-27/h7-10,13,15-17,26H,1-6,11-12,14H2,(H,28,29)