N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]azepane-1-sulfonamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]azepane-1-sulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]azepane-1-sulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-azepanesulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]azepane-1-sulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]azepane-1-sulfonamide Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)N2CCCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)N2CCCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H25N3O6S/c1-24-15-11-13(14(19(20)21)12-16(15)25-2)7-8-17-26(22,23)18-9-5-3-4-6-10-18/h11-12,17H,3-10H2,1-2H3