4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid

Systemtic Name: 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid Openeye Name: 4-(3-imidazol-1-ylpropyl)-8-(2-naphthylsulfonylamino)octanoic acid CAS Name: 4-[3-(1-imidazolyl)propyl]-8-(2-naphthalenylsulfonylamino)octanoic acid IUPAC Name: 4-(3-imidazol-1-ylpropyl)-8-(naphthalen-2-ylsulfonylamino)octanoic acid Traditional Name: 4-(3-imidazol-1-ylpropyl)-8-(2-naphthylsulfonylamino)caprylic acid Formula: C24H31N3O4S MolecularWeight: 457.58564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCC(CCCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCC(CCCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C24H31N3O4S/c28-24(29)13-10-20(7-5-16-27-17-15-25-19-27)6-3-4-14-26-32(30,31)23-12-11-21-8-1-2-9-22(21)18-23/h1-2,8-9,11-12,15,17-20,26H,3-7,10,13-14,16H2,(H,28,29)