4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]butane-1-sulfonic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]butane-1-sulfonic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]butane-1-sulfonic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-butanesulfonic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]butane-1-sulfonic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]butane-1-sulfonic acid Formula: C17H21N5O5S MolecularWeight: 407.44414

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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)NCCCCS(=O)(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NCCCCS(=O)(=O)O

InChI

InChI=1S/C17H21N5O5S/c1-22-17(24)13(16(23)20-8-2-3-9-28(25,26)27)10-14(21-22)11-4-6-12(7-5-11)15(18)19/h4-7,10H,2-3,8-9H2,1H3,(H3,18,19)(H,20,23)(H,25,26,27)