N-(2-methoxy-5-methyl-phenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-[(3-nitrobenzyl)sulfonylamino]benzenesulfonamide Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H21N3O7S2/c1-15-6-11-21(31-2)20(12-15)23-33(29,30)19-9-7-17(8-10-19)22-32(27,28)14-16-4-3-5-18(13-16)24(25)26/h3-13,22-23H,14H2,1-2H3