2-[[4-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-(6-methylsulfonyl-3-pyridazinyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(6-methylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-(6-mesylpyridazin-3-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NN=C(C=C1)C2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C19H21N3O5S/c1-28(26,27)17-11-10-16(21-22-17)12-6-8-13(9-7-12)20-18(23)14-4-2-3-5-15(14)19(24)25/h6-11,14-15H,2-5H2,1H3,(H,20,23)(H,24,25)