2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-(1-piperazinyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-5-piperazino-3,4-dihydro-1H-isoquinoline Formula: C21H21F6N3O2S MolecularWeight: 493.465759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F6N3O2S/c22-20(23,24)15-10-16(21(25,26)27)12-17(11-15)33(31,32)30-7-4-18-14(13-30)2-1-3-19(18)29-8-5-28-6-9-29/h1-3,10-12,28H,4-9,13H2