N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-chloranyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-chloranyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-chloro-2-nitro-phenoxy)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-chloro-2-nitrophenoxy)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-chloro-2-nitrophenoxy)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-chloro-2-nitro-phenoxy)acetamide Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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