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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C24H25N5O2S2 MolecularWeight: 479.6176

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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)N5CCCCCC5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NN=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C24H25N5O2S2/c1-17-25-22-10-9-20(16-23(22)32-17)33(30,31)28-19-8-6-7-18(15-19)21-11-12-24(27-26-21)29-13-4-2-3-5-14-29/h6-12,15-16,28H,2-5,13-14H2,1H3