2-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[(6-imidazol-1-yl-3-pyridyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[(6-imidazol-1-yl-3-pyridyl)methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C22H20N6O5S MolecularWeight: 480.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=C(C=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CN=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H20N6O5S/c1-33-20-5-3-2-4-18(20)26-34(31,32)21-12-17(28(29)30)7-8-19(21)24-13-16-6-9-22(25-14-16)27-11-10-23-15-27/h2-12,14-15,24,26H,13H2,1H3