(3-methyl-1-benzothiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-1-benzothiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methylbenzothiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-methyl-1-benzothiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methyl-1-benzothiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methylbenzothiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C21H19F3N2O3S2 MolecularWeight: 468.51237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3S2/c1-14-17-4-2-3-5-18(17)30-19(14)20(27)25-10-12-26(13-11-25)31(28,29)16-8-6-15(7-9-16)21(22,23)24/h2-9H,10-13H2,1H3