N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=C(N=C(C=C2)C)[N+](=O)[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N4O6S/c1-15-7-9-17(13-19(15)32(29,30)24-11-5-3-4-6-12-24)23-20(26)14-31-18-10-8-16(2)22-21(18)25(27)28/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,23,26)