2-[methyl-[[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylmethyl]azaniumyl]ethanoate

Systemtic Name: 2-[methyl-[[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonylmethyl]azaniumyl]ethanoate Openeye Name: 2-[methyl-[[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylmethyl]ammonio]acetate CAS Name: 2-[methyl-[[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylmethyl]ammonio]acetate IUPAC Name: 2-[methyl-[[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylmethyl]azaniumyl]acetate Traditional Name: 2-[[5-(6-keto-1H-pyridazin-3-yl)-2-methyl-phenyl]sulfonylmethyl-methyl-ammonio]acetate Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)C[NH+](C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)C[NH+](C)CC(=O)[O-]

InChI

InChI=1S/C15H17N3O5S/c1-10-3-4-11(12-5-6-14(19)17-16-12)7-13(10)24(22,23)9-18(2)8-15(20)21/h3-7H,8-9H2,1-2H3,(H,17,19)(H,20,21)