N-[2-tert-butyl-3-oxidanylidene-5-(pyridin-4-ylmethylamino)pyridazin-4-yl]benzenesulfonamide

Systemtic Name: N-[2-tert-butyl-3-oxidanylidene-5-(pyridin-4-ylmethylamino)pyridazin-4-yl]benzenesulfonamide Openeye Name: N-[2-tert-butyl-3-oxo-5-(4-pyridylmethylamino)pyridazin-4-yl]benzenesulfonamide CAS Name: N-[2-tert-butyl-3-oxo-5-(pyridin-4-ylmethylamino)-4-pyridazinyl]benzenesulfonamide IUPAC Name: N-[2-tert-butyl-3-oxo-5-(pyridin-4-ylmethylamino)pyridazin-4-yl]benzenesulfonamide Traditional Name: N-[2-tert-butyl-3-keto-5-(4-pyridylmethylamino)pyridazin-4-yl]benzenesulfonamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)NCC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)NCC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3S/c1-20(2,3)25-19(26)18(24-29(27,28)16-7-5-4-6-8-16)17(14-23-25)22-13-15-9-11-21-12-10-15/h4-12,14,22,24H,13H2,1-3H3