[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonyl-(2-chloranyl-5-nitro-phenyl)azanide

Systemtic Name: [3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonyl-(2-chloranyl-5-nitro-phenyl)azanide Openeye Name: [3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonyl-(2-chloro-5-nitro-phenyl)azanide CAS Name: [3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonyl-(2-chloro-5-nitrophenyl)azanide IUPAC Name: [3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonyl-(2-chloro-5-nitrophenyl)azanide Traditional Name: [3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonyl-(2-chloro-5-nitro-phenyl)azanide Formula: C20H21ClN3O6S- MolecularWeight: 466.91524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN3O6S/c1-30-19-9-7-15(13-16(19)20(25)23-10-4-2-3-5-11-23)31(28,29)22-18-12-14(24(26)27)6-8-17(18)21/h6-9,12-13H,2-5,10-11H2,1H3/q-1