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

Systemtic Name: [3-[[(Z)-(4-aminophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Openeye Name: [3-[[(Z)-(4-aminophenyl)methyleneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate CAS Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(2Z)-2-[(4-aminophenyl)methylidene]hydrazinyl]-oxomethyl]phenyl] ester IUPAC Name: [3-[[(Z)-(4-aminophenyl)methylideneamino]carbamoyl]phenyl] 6-methyl-1,3-benzodioxole-5-sulfonate Traditional Name: 6-methyl-1,3-benzodioxole-5-sulfonic acid [3-[[(Z)-(4-aminobenzylidene)amino]carbamoyl]phenyl] ester Formula: C22H19N3O6S MolecularWeight: 453.46776

Click to see the large picture

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)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)N)OCO2

InChI

InChI=1S/C22H19N3O6S/c1-14-9-19-20(30-13-29-19)11-21(14)32(27,28)31-18-4-2-3-16(10-18)22(26)25-24-12-15-5-7-17(23)8-6-15/h2-12H,13,23H2,1H3,(H,25,26)/b24-12-