(3-fluoranyl-4-methoxy-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C19H20FN3O6S MolecularWeight: 437.442003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O6S/c1-29-18-6-3-13(11-15(18)20)19(24)22-9-7-21(8-10-22)16-5-4-14(30(2,27)28)12-17(16)23(25)26/h3-6,11-12H,7-10H2,1-2H3