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

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(6-pyrazol-1-yl-3-pyridyl)methylamino]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[[6-(1-pyrazolyl)-3-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(6-pyrazol-1-ylpyridin-3-yl)methylamino]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(6-pyrazol-1-yl-3-pyridyl)methylamino]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=CC=N4)[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=CC=N4)[N+](=O)[O-])C

InChI

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