2-(2-azanyl-6-nitro-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(2-azanyl-6-nitro-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide Openeye Name: 2-(2-amino-6-nitro-phenyl)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]acetamide CAS Name: 2-(2-amino-6-nitrophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]acetamide IUPAC Name: 2-(2-amino-6-nitrophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]acetamide Traditional Name: 2-(2-amino-6-nitro-phenyl)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]acetamide Formula: C27H28FN5O6S MolecularWeight: 569.604523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=C(C=CC=C4[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=C(C=CC=C4[N+](=O)[O-])N

InChI

InChI=1S/C27H28FN5O6S/c1-40(38,39)24-16-19(28)10-11-23(24)31-12-14-32(15-13-31)27(35)26(18-6-3-2-4-7-18)30-25(34)17-20-21(29)8-5-9-22(20)33(36)37/h2-11,16,26H,12-15,17,29H2,1H3,(H,30,34)