4-chloranyl-N-[2-(4-cyanophenoxy)ethyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(4-cyanophenoxy)ethyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(4-cyanophenoxy)ethyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-cyanophenoxy)ethyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(4-cyanophenoxy)ethyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-cyanophenoxy)ethyl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O6S/c1-31-18-8-4-17(5-9-18)25(12-13-32-19-6-2-16(15-24)3-7-19)33(29,30)20-10-11-21(23)22(14-20)26(27)28/h2-11,14H,12-13H2,1H3