[3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[(3E)-3-[bis(azanyl)methylidenehydrazinylidene]propoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] ester IUPAC Name: [3-[(3E)-3-(diaminomethylidenehydrazinylidene)propoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-[(3E)-3-(diaminomethylenehydrazono)propoxy]-5-methyl-phenyl] ester Formula: C18H22N4O6S2 MolecularWeight: 454.52048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCC=NN=C(N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC/C=N/N=C(N)N

InChI

InChI=1S/C18H22N4O6S2/c1-13-10-14(27-9-5-8-21-22-18(19)20)12-15(11-13)28-30(25,26)17-7-4-3-6-16(17)29(2,23)24/h3-4,6-8,10-12H,5,9H2,1-2H3,(H4,19,20,22)/b21-8+