(4-ethylphenyl)-[4-[4-(trifluoromethylsulfonyl)phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-[4-(trifluoromethylsulfonyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[oxo-[4-(trifluoromethylsulfonyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-[4-(trifluoromethylsulfonyl)benzoyl]piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(4-triflylbenzoyl)piperazino]methanone Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4S/c1-2-15-3-5-16(6-4-15)19(27)25-11-13-26(14-12-25)20(28)17-7-9-18(10-8-17)31(29,30)21(22,23)24/h3-10H,2,11-14H2,1H3