N-(5-chloranylpyridin-2-yl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C16H13ClF3N3O3S MolecularWeight: 419.80593

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl)C(=O)C(F)(F)F

InChI

InChI=1S/C16H13ClF3N3O3S/c17-12-2-4-14(21-8-12)22-27(25,26)13-3-1-10-5-6-23(9-11(10)7-13)15(24)16(18,19)20/h1-4,7-8H,5-6,9H2,(H,21,22)