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

Systemtic Name: [4-[(ethoxycarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(ethoxycarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(ethoxycarbonylhydrazo)-oxomethyl]phenyl] ester IUPAC Name: [4-[(ethoxycarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(carbethoxyamino)carbamoyl]phenyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)NNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H20N2O6S/c1-4-25-18(22)20-19-17(21)14-7-9-15(10-8-14)26-27(23,24)16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)