N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-phenylsulfanyl-acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(phenylthio)acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-phenylsulfanylacetamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(phenylthio)acetamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S2/c1-27(24,25)14-7-8-15(16(11-14)20(22)23)18-9-10-19-17(21)12-26-13-5-3-2-4-6-13/h2-8,11,18H,9-10,12H2,1H3,(H,19,21)