N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C20H23FN4O6S MolecularWeight: 466.483223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C20H23FN4O6S/c1-31-19-8-7-17(25(27)28)13-18(19)24(32(2,29)30)14-20(26)23-11-9-22(10-12-23)16-5-3-15(21)4-6-16/h3-8,13H,9-12,14H2,1-2H3