[3-[[(Z)-(phenylmethylidene)amino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate

Systemtic Name: [3-[[(Z)-(phenylmethylidene)amino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Openeye Name: [3-[[(Z)-benzylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate CAS Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[oxo-[(2Z)-2-(phenylmethylene)hydrazinyl]methyl]phenyl] ester IUPAC Name: [3-[[(Z)-benzylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Traditional Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(Z)-benzalamino]carbamoyl]phenyl] ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)OC3=CC=CC(=C3)C(=O)NN=CC4=CC=CC=C4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)OC3=CC=CC(=C3)C(=O)N/N=C\C4=CC=CC=C4)OCO2

InChI

InChI=1S/C22H18N2O6S/c1-15-10-19-20(29-14-28-19)12-21(15)31(26,27)30-18-9-5-8-17(11-18)22(25)24-23-13-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,25)/b23-13-