N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-5-fluoranyl-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-5-fluoranyl-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-fluoro-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[5-bromo-2-[oxo(1-piperidinyl)methyl]phenyl]-5-fluoro-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-fluoro-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-fluoro-piazthiole-4-sulfonamide Formula: C18H16BrFN4O3S2 MolecularWeight: 499.377043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=C(C=CC4=NSN=C43)F

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=C(C=CC4=NSN=C43)F

InChI

InChI=1S/C18H16BrFN4O3S2/c19-11-4-5-12(18(25)24-8-2-1-3-9-24)15(10-11)23-29(26,27)17-13(20)6-7-14-16(17)22-28-21-14/h4-7,10,23H,1-3,8-9H2