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

Systemtic Name: 2-methyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide CAS Name: 2-methyl-N-[4-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-methyl-N-[4-(6-pyrrolidinopyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=NN=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=NN=C(C=C4)N5CCCC5

InChI

InChI=1S/C22H21N5O2S2/c1-15-23-20-9-8-18(14-21(20)30-15)31(28,29)26-17-6-4-16(5-7-17)19-10-11-22(25-24-19)27-12-2-3-13-27/h4-11,14,26H,2-3,12-13H2,1H3