2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methyl-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide CAS Name: 2-methyl-N-[3-[6-(4-morpholinyl)-3-pyridazinyl]phenyl]-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-methyl-N-[3-(6-morpholinopyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C22H21N5O3S2/c1-15-23-20-6-5-18(14-21(20)31-15)32(28,29)26-17-4-2-3-16(13-17)19-7-8-22(25-24-19)27-9-11-30-12-10-27/h2-8,13-14,26H,9-12H2,1H3