2-[methyl-[4-[(3-methyl-6-oxidanylidene-1H-pyridazin-5-yl)methyl]phenyl]sulfonyl-amino]ethanoate

Systemtic Name: 2-[methyl-[4-[(3-methyl-6-oxidanylidene-1H-pyridazin-5-yl)methyl]phenyl]sulfonyl-amino]ethanoate Openeye Name: 2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonyl-amino]acetate CAS Name: 2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetate IUPAC Name: 2-[methyl-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[(6-keto-3-methyl-1H-pyridazin-5-yl)methyl]phenyl]sulfonyl-methyl-amino]acetate Formula: C15H16N3O5S- MolecularWeight: 350.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)[O-]

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N(C)CC(=O)[O-]

InChI

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