(4-pyrrol-1-ylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-pyrrol-1-ylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-pyrrol-1-ylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: [4-(1-pyrrolyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-pyrrol-1-ylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-pyrrol-1-ylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C22H20F3N3O3S MolecularWeight: 463.47271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H20F3N3O3S/c23-22(24,25)19-5-1-2-6-20(19)32(30,31)28-15-13-27(14-16-28)21(29)17-7-9-18(10-8-17)26-11-3-4-12-26/h1-12H,13-16H2