1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylazepane

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylazepane Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylazepane CAS Name: 1-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]azepane IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylazepane Traditional Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonylazepane Formula: C17H23F3N4O4S MolecularWeight: 436.44913

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H23F3N4O4S/c18-17(19,20)14-5-6-15(16(13-14)24(25)26)21-9-11-23(12-10-21)29(27,28)22-7-3-1-2-4-8-22/h5-6,13H,1-4,7-12H2