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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S/c1-15-8-9-16(13-18(15)31(28,29)23-11-4-2-3-5-12-23)22-19(25)14-30-17-7-6-10-21-20(17)24(26)27/h6-10,13H,2-5,11-12,14H2,1H3,(H,22,25)