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

Systemtic Name: 5-[[3-(6-methylsulfonylpyridazin-3-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(6-methylsulfonylpyridazin-3-yl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-(6-methylsulfonyl-3-pyridazinyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-(6-methylsulfonylpyridazin-3-yl)anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[3-(6-mesylpyridazin-3-yl)anilino]valeric acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S/c1-25(23,24)15-9-8-13(18-19-15)11-4-2-5-12(10-11)17-14(20)6-3-7-16(21)22/h2,4-5,8-10H,3,6-7H2,1H3,(H,17,20)(H,21,22)