4-piperazin-1-yl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonyl-indole

Systemtic Name: 4-piperazin-1-yl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonyl-indole Openeye Name: 4-piperazin-1-yl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonyl-indole CAS Name: 4-(1-piperazinyl)-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonylindole IUPAC Name: 4-piperazin-1-yl-1-[3-(trifluoromethylsulfonyl)phenyl]sulfonylindole Traditional Name: 4-piperazino-1-(3-triflylphenyl)sulfonyl-indole Formula: C19H18F3N3O4S2 MolecularWeight: 473.48913

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O4S2/c20-19(21,22)30(26,27)14-3-1-4-15(13-14)31(28,29)25-10-7-16-17(5-2-6-18(16)25)24-11-8-23-9-12-24/h1-7,10,13,23H,8-9,11-12H2