3-[2-(butylsulfonylamino)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-[2-(butylsulfonylamino)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid Openeye Name: 3-[2-(butylsulfonylamino)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid CAS Name: 3-[2-(butylsulfonylamino)-3-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[2-(butylsulfonylamino)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoic acid Traditional Name: 3-[3-[6-(4-amidinophenyl)pyridazin-3-yl]-2-(butylsulfonylamino)imidazol-4-yl]propionic acid Formula: C21H25N7O4S MolecularWeight: 471.5327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=NC=C(N1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC1=NC=C(N1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C21H25N7O4S/c1-2-3-12-33(31,32)27-21-24-13-16(8-11-19(29)30)28(21)18-10-9-17(25-26-18)14-4-6-15(7-5-14)20(22)23/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H3,22,23)(H,24,27)(H,29,30)