N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]benzenesulfonamide

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]benzenesulfonamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzenesulfonamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]benzenesulfonamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzenesulfonamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzenesulfonamide Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NS(=O)(=O)C3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NS(=O)(=O)C3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H21N5O3S/c1-19-25(31-36(33,34)24-10-6-3-7-11-24)18-32-27(19)26(20(16-28)17-29-32)30-21-12-14-23(15-13-21)35-22-8-4-2-5-9-22/h2-15,17-18,30-31H,1H3