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

Systemtic Name: 2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[3-(6-ethylsulfonyl-3-pyridazinyl)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-(6-esylpyridazin-3-yl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-2-29(27,28)18-11-10-17(22-23-18)13-6-5-7-14(12-13)21-19(24)15-8-3-4-9-16(15)20(25)26/h5-7,10-12,15-16H,2-4,8-9H2,1H3,(H,21,24)(H,25,26)