2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(8-fluoro-5H-pyridazin[4,5-b]indol-4-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H20FN5O3S2 MolecularWeight: 485.554303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C4C(=CN=N3)C5=C(N4)C=CC(=C5)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C4C(=CN=N3)C5=C(N4)C=CC(=C5)F

InChI

InChI=1S/C22H20FN5O3S2/c23-14-6-7-19-17(10-14)18-12-24-27-22(21(18)26-19)32-13-20(29)25-15-4-3-5-16(11-15)33(30,31)28-8-1-2-9-28/h3-7,10-12,26H,1-2,8-9,13H2,(H,25,29)