6-[[3-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3-(6-methylsulfonyl-3-pyridazinyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-(6-mesylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C19H19N3O5S/c1-28(26,27)17-10-9-16(21-22-17)12-5-4-6-13(11-12)20-18(23)14-7-2-3-8-15(14)19(24)25/h2-6,9-11,14-15H,7-8H2,1H3,(H,20,23)(H,24,25)