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

Systemtic Name: 2-methyl-N-[3-(6-propoxypyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methyl-N-[3-(6-propoxypyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide CAS Name: 2-methyl-N-[3-(6-propoxy-3-pyridazinyl)phenyl]-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methyl-N-[3-(6-propoxypyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-methyl-N-[3-(6-propoxypyridazin-3-yl)phenyl]-1,3-benzothiazole-6-sulfonamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCCOC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C21H20N4O3S2/c1-3-11-28-21-10-9-18(23-24-21)15-5-4-6-16(12-15)25-30(26,27)17-7-8-19-20(13-17)29-14(2)22-19/h4-10,12-13,25H,3,11H2,1-2H3