N-cyclopropyl-3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide

Systemtic Name: N-cyclopropyl-3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide Openeye Name: N-cyclopropyl-3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide CAS Name: N-cyclopropyl-3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]benzamide IUPAC Name: N-cyclopropyl-3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzamide Traditional Name: N-cyclopropyl-3-nitro-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]benzamide Formula: C21H21F3N4O5S MolecularWeight: 498.47545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O5S/c22-21(23,24)15-2-6-17(7-3-15)34(32,33)27-11-9-26(10-12-27)18-8-1-14(13-19(18)28(30)31)20(29)25-16-4-5-16/h1-3,6-8,13,16H,4-5,9-12H2,(H,25,29)