methyl 3-[2-(butylsulfonylamino)-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate

Systemtic Name: methyl 3-[2-(butylsulfonylamino)-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Openeye Name: methyl 3-[2-(butylsulfonylamino)-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate CAS Name: 3-[2-(butylsulfonylamino)-4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(butylsulfonylamino)-4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Traditional Name: 3-[4-[6-(4-amidinophenyl)pyridazin-3-yl]-2-(butylsulfonylamino)-1H-imidazol-5-yl]propionic acid methyl ester Formula: C22H27N7O4S MolecularWeight: 485.55928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=NC(=C(N1)CCC(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)NC1=NC(=C(N1)CCC(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N7O4S/c1-3-4-13-34(31,32)29-22-25-17(11-12-19(30)33-2)20(26-22)18-10-9-16(27-28-18)14-5-7-15(8-6-14)21(23)24/h5-10H,3-4,11-13H2,1-2H3,(H3,23,24)(H2,25,26,29)