6-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-(6-ethylsulfonyl-3-pyridazinyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(6-esylpyridazin-3-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)C3CC=CCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-2-29(27,28)18-12-11-17(22-23-18)13-7-9-14(10-8-13)21-19(24)15-5-3-4-6-16(15)20(25)26/h3-4,7-12,15-16H,2,5-6H2,1H3,(H,21,24)(H,25,26)