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

Systemtic Name: 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid Openeye Name: 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid CAS Name: 8-[(4-fluorophenyl)sulfonylamino]-4-[3-(1-imidazolyl)propyl]octanoic acid IUPAC Name: 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)octanoic acid Traditional Name: 8-[(4-fluorophenyl)sulfonylamino]-4-(3-imidazol-1-ylpropyl)caprylic acid Formula: C20H28FN3O4S MolecularWeight: 425.517423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)NCCCCC(CCCN2C=CN=C2)CCC(=O)O

InChI

InChI=1S/C20H28FN3O4S/c21-18-7-9-19(10-8-18)29(27,28)23-12-2-1-4-17(6-11-20(25)26)5-3-14-24-15-13-22-16-24/h7-10,13,15-17,23H,1-6,11-12,14H2,(H,25,26)