N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetamide Formula: C20H23ClN4O6S MolecularWeight: 482.93782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O6S/c1-14-6-9-18(20(22-14)25(27)28)31-13-19(26)23-17-12-15(7-8-16(17)21)32(29,30)24-10-4-2-3-5-11-24/h6-9,12H,2-5,10-11,13H2,1H3,(H,23,26)