[2-(dimethylcarbamoyl)phenyl] 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate

Systemtic Name: [2-(dimethylcarbamoyl)phenyl] 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: [2-(dimethylcarbamoyl)phenyl] 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid [2-[dimethylamino(oxo)methyl]phenyl] ester IUPAC Name: [2-(dimethylcarbamoyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid [2-(dimethylcarbamoyl)phenyl] ester Formula: C22H19ClN2O7S MolecularWeight: 490.91346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H19ClN2O7S/c1-24(2)22(26)18-5-3-4-6-20(18)32-33(29,30)17-10-7-15(8-11-17)14-31-21-12-9-16(25(27)28)13-19(21)23/h3-13H,14H2,1-2H3