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

Systemtic Name: 2-methyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide CAS Name: 2-methyl-N-[3-[6-(1-pyrrolidinyl)-3-pyridazinyl]phenyl]-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methyl-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-methyl-N-[3-(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=CC(=C3)C4=NN=C(C=C4)N5CCCC5

Isomeric SMILES

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

InChI

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