[4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(2,4-dichlorophenyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]phenyl] ester Formula: C21H16Cl2N2O6S MolecularWeight: 495.33254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16Cl2N2O6S/c22-16-7-4-14(20(23)12-16)10-11-24-21(26)15-5-8-18(9-6-15)31-32(29,30)19-3-1-2-17(13-19)25(27)28/h1-9,12-13H,10-11H2,(H,24,26)