3-cyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyphenyl)sulfonylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyphenyl)sulfonyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H15N3O5S/c1-14-19(22(26)27)13-25-20(14)21(15(11-23)12-24-25)31(28,29)18-9-7-17(8-10-18)30-16-5-3-2-4-6-16/h2-10,12-13H,1H3,(H,26,27)