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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=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=C(C=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)21-9-13-22(14-10-21)27-25(29)20-11-15-23(16-12-20)33-34(31,32)24-17-18(3)7-8-19(24)4/h7-17H,5-6H2,1-4H3,(H,27,29)