N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)-methyl-sulfamoyl]phenoxy]-N-methyl-benzenesulfonamide

Systemtic Name: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)-methyl-sulfamoyl]phenoxy]-N-methyl-benzenesulfonamide Openeye Name: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)-methyl-sulfamoyl]phenoxy]-N-methyl-benzenesulfonamide CAS Name: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)-methylsulfamoyl]phenoxy]-N-methylbenzenesulfonamide IUPAC Name: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)-methylsulfamoyl]phenoxy]-N-methylbenzenesulfonamide Traditional Name: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)-methyl-sulfamoyl]phenoxy]-N-methyl-benzenesulfonamide Formula: C26H20N6O13S2 MolecularWeight: 688.5994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N(C)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)N(C)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O13S2/c1-27(23-13-3-17(29(33)34)15-25(23)31(37)38)46(41,42)21-9-5-19(6-10-21)45-20-7-11-22(12-8-20)47(43,44)28(2)24-14-4-18(30(35)36)16-26(24)32(39)40/h3-16H,1-2H3