[(Z)-[azanyl-[(3-methylphenoxy)-propoxy-amino]methylidene]amino] 5-chloranyl-2-methoxy-benzenesulfonate

Systemtic Name: [(Z)-[azanyl-[(3-methylphenoxy)-propoxy-amino]methylidene]amino] 5-chloranyl-2-methoxy-benzenesulfonate Openeye Name: [(Z)-[amino-[(3-methylphenoxy)-propoxy-amino]methylene]amino] 5-chloro-2-methoxy-benzenesulfonate CAS Name: 5-chloro-2-methoxybenzenesulfonic acid [(Z)-[amino-[(3-methylphenoxy)-propoxyamino]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[(3-methylphenoxy)-propoxyamino]methylidene]amino] 5-chloro-2-methoxybenzenesulfonate Traditional Name: 5-chloro-2-methoxy-benzenesulfonic acid [(Z)-[amino-[(3-methylphenoxy)-propoxy-amino]methylene]amino] ester Formula: C18H22ClN3O6S MolecularWeight: 443.90178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=NOS(=O)(=O)C1=C(C=CC(=C1)Cl)OC)N)OC2=CC=CC(=C2)C

Isomeric SMILES

CCCON(/C(=N\OS(=O)(=O)C1=C(C=CC(=C1)Cl)OC)/N)OC2=CC=CC(=C2)C

InChI

InChI=1S/C18H22ClN3O6S/c1-4-10-26-22(27-15-7-5-6-13(2)11-15)18(20)21-28-29(23,24)17-12-14(19)8-9-16(17)25-3/h5-9,11-12H,4,10H2,1-3H3,(H2,20,21)