N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methoxy-5-nitro-phenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-methoxy-5-nitro-phenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-methoxy-5-nitro-phenoxy)acetamide Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H24ClN3O7S/c1-31-19-9-6-15(25(27)28)12-20(19)32-14-21(26)23-18-13-16(7-8-17(18)22)33(29,30)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,26)