4-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[1-oxo-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(3-pyridylsulfonyl)piperazino]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C21H22F3N5O4S MolecularWeight: 497.49069

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22F3N5O4S/c1-14(27-7-9-28(10-8-27)34(32,33)16-3-2-6-25-12-16)20(31)29-13-19(30)26-17-11-15(21(22,23)24)4-5-18(17)29/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,30)