[3-[[(Z)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate

Systemtic Name: [3-[[(Z)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Openeye Name: [3-[[(Z)-4-pyridylmethyleneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate CAS Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[oxo-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]methyl]phenyl] ester IUPAC Name: [3-[[(Z)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Traditional Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(Z)-4-pyridylmethyleneamino]carbamoyl]phenyl] ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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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=NC=C4)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-14-9-18-19(29-13-28-18)11-20(14)31(26,27)30-17-4-2-3-16(10-17)21(25)24-23-12-15-5-7-22-8-6-15/h2-12H,13H2,1H3,(H,24,25)/b23-12-