2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]-N-phenyl-acetamide Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-29(27,28)16-7-8-17(18(13-16)23(25)26)22-11-9-21(10-12-22)14-19(24)20-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)