N-(2,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[(3-nitrobenzyl)sulfonylamino]benzenesulfonamide Formula: C21H21N3O8S2 MolecularWeight: 507.53674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O8S2/c1-31-18-8-11-21(32-2)20(13-18)23-34(29,30)19-9-6-16(7-10-19)22-33(27,28)14-15-4-3-5-17(12-15)24(25)26/h3-13,22-23H,14H2,1-2H3