N-(2,4-dimethylphenyl)-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[6-(1-imidazolyl)-3-pyridinyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(6-imidazol-1-ylpyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(6-imidazol-1-yl-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=C(C=C3)N4C=CN=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H22N6O4S/c1-16-3-6-20(17(2)11-16)27-34(32,33)19-5-7-21(22(12-19)29(30)31)25-13-18-4-8-23(26-14-18)28-10-9-24-15-28/h3-12,14-15,25,27H,13H2,1-2H3