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

Systemtic Name: 6-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H17ClN4O5S/c19-15-9-10-16(22-21-15)23-29(27,28)12-7-5-11(6-8-12)20-17(24)13-3-1-2-4-14(13)18(25)26/h1-2,5-10,13-14H,3-4H2,(H,20,24)(H,22,23)(H,25,26)