[4-[ethyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[ethyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[ethyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(N-ethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[ethyl(phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[ethyl(phenyl)carbamoyl]phenyl] ester Formula: C21H18N2O6S MolecularWeight: 426.44242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-2-22(17-7-4-3-5-8-17)21(24)16-11-13-19(14-12-16)29-30(27,28)20-10-6-9-18(15-20)23(25)26/h3-15H,2H2,1H3