[4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(piperonyloylamino)carbamoyl]phenyl] ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O7S/c1-14-3-4-15(2)21(11-14)33(28,29)32-18-8-5-16(6-9-18)22(26)24-25-23(27)17-7-10-19-20(12-17)31-13-30-19/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)