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

Systemtic Name: 5-methyl-3-(methylsulfonylaminomethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-(methanesulfonamidomethyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-(methanesulfonamidomethyl)-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-(methanesulfonamidomethyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-(methanesulfonamidomethyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)CNS(=O)(=O)C)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)CNS(=O)(=O)C)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O5S/c1-15-20(23(28)29)14-27-22(15)21(16(12-24-27)13-25-33(2,30)31)26-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-12,14,25-26H,13H2,1-2H3,(H,28,29)