2-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]ethanesulfonic acid

Systemtic Name: 2-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]ethanesulfonic acid Openeye Name: 2-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]ethanesulfonic acid CAS Name: 2-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]ethanesulfonic acid IUPAC Name: 2-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]ethanesulfonic acid Traditional Name: 2-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]ethanesulfonic acid Formula: C16H16N6O3S MolecularWeight: 372.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)CCS(=O)(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)CCS(=O)(=O)O)C(=N)N

InChI

InChI=1S/C16H16N6O3S/c17-15(18)11-3-1-10(2-4-11)13-5-6-14(22-21-13)16-19-9-12(20-16)7-8-26(23,24)25/h1-6,9H,7-8H2,(H3,17,18)(H,19,20)(H,23,24,25)