N-butyl-N-phenyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-butyl-N-phenyl-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-butyl-N-phenyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N-butyl-N-phenyl-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-butyl-N-phenyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-butyl-N-phenyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(CCN(C3)C(=O)C(F)(F)F)C=C2

InChI

InChI=1S/C21H23F3N2O3S/c1-2-3-12-26(18-7-5-4-6-8-18)30(28,29)19-10-9-16-11-13-25(15-17(16)14-19)20(27)21(22,23)24/h4-10,14H,2-3,11-13,15H2,1H3