[4-[[3-(diethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[3-(diethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[3-(diethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-[diethylamino(oxo)methyl]anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(diethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(diethylcarbamoyl)phenyl]carbamoyl]phenyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H28N2O5S/c1-5-28(6-2)26(30)21-8-7-9-22(17-21)27-25(29)20-12-14-23(15-13-20)33-34(31,32)24-16-18(3)10-11-19(24)4/h7-17H,5-6H2,1-4H3,(H,27,29)