[4-[[(2,5-dimethylfuran-3-yl)carbonylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[(2,5-dimethylfuran-3-yl)carbonylamino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[(2,5-dimethyl-3-furanyl)-oxomethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[(2,5-dimethyl-3-furoyl)amino]carbamoyl]phenyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(OC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=C(OC(=C3)C)C

InChI

InChI=1S/C22H22N2O6S/c1-13-5-6-14(2)20(11-13)31(27,28)30-18-9-7-17(8-10-18)21(25)23-24-22(26)19-12-15(3)29-16(19)4/h5-12H,1-4H3,(H,23,25)(H,24,26)