2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[2-[(2-cyanophenyl)methylthio]ethylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[2-[(2-cyanobenzyl)thio]ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C23H22N4O5S2 MolecularWeight: 498.57458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H22N4O5S2/c1-32-22-9-5-4-8-20(22)26-34(30,31)23-14-19(27(28)29)10-11-21(23)25-12-13-33-16-18-7-3-2-6-17(18)15-24/h2-11,14,25-26H,12-13,16H2,1H3