N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide Formula: C19H21ClN4O6S MolecularWeight: 468.91124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O6S/c20-15-8-7-14(31(28,29)23-10-3-1-2-4-11-23)12-16(15)22-18(25)13-30-17-6-5-9-21-19(17)24(26)27/h5-9,12H,1-4,10-11,13H2,(H,22,25)