1-(4-methylphenyl)sulfonyl-4-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]indole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]indole Openeye Name: 4-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]-1-(p-tolylsulfonyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[4-methyl-3-(trifluoromethyl)-1-piperazinyl]methyl]indole IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]indole Traditional Name: 4-[[4-methyl-3-(trifluoromethyl)piperazino]methyl]-1-tosyl-indole Formula: C22H24F3N3O2S MolecularWeight: 451.50507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)CN4CCN(C(C4)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)CN4CCN(C(C4)C(F)(F)F)C

InChI

InChI=1S/C22H24F3N3O2S/c1-16-6-8-18(9-7-16)31(29,30)28-11-10-19-17(4-3-5-20(19)28)14-27-13-12-26(2)21(15-27)22(23,24)25/h3-11,21H,12-15H2,1-2H3