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

Systemtic Name: [3-[[(Z)-(4-cyanophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Openeye Name: [3-[[(Z)-(4-cyanophenyl)methyleneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate CAS Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-oxomethyl]phenyl] ester IUPAC Name: [3-[[(Z)-(4-cyanophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Traditional Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(Z)-(4-cyanobenzylidene)amino]carbamoyl]phenyl] ester Formula: C23H17N3O6S MolecularWeight: 463.46258

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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=C(C=C4)C#N)OCO2

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O6S/c1-15-9-20-21(31-14-30-20)11-22(15)33(28,29)32-19-4-2-3-18(10-19)23(27)26-25-13-17-7-5-16(12-24)6-8-17/h2-11,13H,14H2,1H3,(H,26,27)/b25-13-