5-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-ethylsulfonylpyridazin-3-yl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-(6-ethylsulfonyl-3-pyridazinyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-(6-ethylsulfonylpyridazin-3-yl)anilino]-5-oxopentanoic acid Traditional Name: 5-[4-(6-esylpyridazin-3-yl)anilino]-5-keto-valeric acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C17H19N3O5S/c1-2-26(24,25)16-11-10-14(19-20-16)12-6-8-13(9-7-12)18-15(21)4-3-5-17(22)23/h6-11H,2-5H2,1H3,(H,18,21)(H,22,23)