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

Systemtic Name: N-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethyl]-2-phenyl-acetamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-32(30,31)17-7-8-18(19(14-17)25(28)29)23-9-11-24(12-10-23)21(27)15-22-20(26)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3,(H,22,26)