6-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[(5-bromo-2-methoxyphenyl)methylthio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: 6-[(5-bromo-2-methoxy-benzyl)thio]-N,N-diethyl-pyridine-3-sulfonamide Formula: C17H21BrN2O3S2 MolecularWeight: 445.39424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H21BrN2O3S2/c1-4-20(5-2)25(21,22)15-7-9-17(19-11-15)24-12-13-10-14(18)6-8-16(13)23-3/h6-11H,4-5,12H2,1-3H3