2-methoxy-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-methoxy-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-methoxy-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-methoxy-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-methoxy-ethanone Formula: C14H19N3O6S MolecularWeight: 357.38216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-23-10-14(18)16-7-5-15(6-8-16)12-4-3-11(24(2,21)22)9-13(12)17(19)20/h3-4,9H,5-8,10H2,1-2H3