2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[2-(2-pyridylsulfanyl)ethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-(2-pyridinylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[2-(2-pyridylthio)ethyl]acetamide Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S2/c26-20(22-13-14-31-21-11-4-5-12-23-21)16-24(17-7-6-8-18(15-17)25(27)28)32(29,30)19-9-2-1-3-10-19/h1-12,15H,13-14,16H2,(H,22,26)