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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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