N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3-nitro-benzamide CAS Name: N-[3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]propyl]-3-nitrobenzamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3-nitrobenzamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]sulfonylpropyl]-3-nitro-benzamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O5S/c21-17-5-7-18(8-6-17)23-10-12-24(13-11-23)31(29,30)14-2-9-22-20(26)16-3-1-4-19(15-16)25(27)28/h1,3-8,15H,2,9-14H2,(H,22,26)