N-[2-sulfanyl-5-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-sulfanyl-5-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-sulfanyl-5-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide CAS Name: N-[2-mercapto-5-(trifluoromethyl)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-sulfanyl-5-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-mercapto-5-(trifluoromethyl)phenyl]isoquinoline-5-sulfonamide Formula: C16H11F3N2O2S2 MolecularWeight: 384.39595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)S

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)C(F)(F)F)S

InChI

InChI=1S/C16H11F3N2O2S2/c17-16(18,19)11-4-5-14(24)13(8-11)21-25(22,23)15-3-1-2-10-9-20-7-6-12(10)15/h1-9,21,24H