N-[(4-fluorophenyl)methyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(4-fluorobenzyl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]propionamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23FN4O5S/c1-15(20(26)22-14-16-6-8-17(21)9-7-16)23-10-12-24(13-11-23)31(29,30)19-5-3-2-4-18(19)25(27)28/h2-9,15H,10-14H2,1H3,(H,22,26)