2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]ethyl-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]ethyl-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]ethyl-methylsulfonyl-amino]acetic acid CAS Name: 2-[2-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]ethyl-methylsulfonylamino]acetic acid IUPAC Name: 2-[2-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]ethyl-methylsulfonylamino]acetic acid Traditional Name: 2-[2-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]ethyl-mesyl-amino]acetic acid Formula: C18H22N6O6S MolecularWeight: 450.46888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCN(CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCN(CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C18H22N6O6S/c1-23-18(28)13(9-14(22-23)11-3-5-12(6-4-11)16(19)20)17(27)21-7-8-24(10-15(25)26)31(2,29)30/h3-6,9H,7-8,10H2,1-2H3,(H3,19,20)(H,21,27)(H,25,26)