ethanoyl fluoride; 2-(phenylsulfonyl)-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanoyl fluoride; 2-(phenylsulfonyl)-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: acetyl fluoride; 2-(benzenesulfonyl)-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: acetyl fluoride; 2-(benzenesulfonyl)-5-(1-piperazinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: acetyl fluoride; 2-(benzenesulfonyl)-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: acetyl fluoride; 2-besyl-5-piperazino-3,4-dihydro-1H-isoquinoline Formula: C25H32F3N3O5S MolecularWeight: 543.59889

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(CC2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CN(CC2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H23N3O2S.3C2H3FO/c23-25(24,17-6-2-1-3-7-17)22-12-9-18-16(15-22)5-4-8-19(18)21-13-10-20-11-14-21;3*1-2(3)4/h1-8,20H,9-15H2;3*1H3