N-(2,6-dimethylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide CAS Name: N-(2,6-dimethylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(3-nitrobenzyl)sulfonylamino]benzenesulfonamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S2/c1-15-5-3-6-16(2)21(15)23-32(29,30)20-11-9-18(10-12-20)22-31(27,28)14-17-7-4-8-19(13-17)24(25)26/h3-13,22-23H,14H2,1-2H3