2-benzo[e][1]benzofuran-1-yl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-benzo[e][1]benzofuran-1-yl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-benzo[e]benzofuran-1-yl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(1-benzo[e]benzofuranyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-benzo[e][1]benzofuran-1-yl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: 2-benzo[e]benzofuran-1-yl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]acetamide Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S/c1-33(30,31)17-7-8-19(20(13-17)26(28)29)24-10-11-25-22(27)12-16-14-32-21-9-6-15-4-2-3-5-18(15)23(16)21/h2-9,13-14,24H,10-12H2,1H3,(H,25,27)