[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: (4-isopropylsulfonylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: (4-isopropylsulfonylphenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H22F3N3O5S MolecularWeight: 485.47669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O5S/c1-14(2)33(31,32)17-6-3-15(4-7-17)20(28)26-11-9-25(10-12-26)18-8-5-16(21(22,23)24)13-19(18)27(29)30/h3-8,13-14H,9-12H2,1-2H3