[(Z)-[azanyl-[(3-methylphenoxy)-propoxy-amino]methylidene]amino] 2-cyanobenzenesulfonate

Systemtic Name: [(Z)-[azanyl-[(3-methylphenoxy)-propoxy-amino]methylidene]amino] 2-cyanobenzenesulfonate Openeye Name: [(Z)-[amino-[(3-methylphenoxy)-propoxy-amino]methylene]amino] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [(Z)-[amino-[(3-methylphenoxy)-propoxyamino]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[(3-methylphenoxy)-propoxyamino]methylidene]amino] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [(Z)-[amino-[(3-methylphenoxy)-propoxy-amino]methylene]amino] ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=NOS(=O)(=O)C1=CC=CC=C1C#N)N)OC2=CC=CC(=C2)C

Isomeric SMILES

CCCON(/C(=N\OS(=O)(=O)C1=CC=CC=C1C#N)/N)OC2=CC=CC(=C2)C

InChI

InChI=1S/C18H20N4O5S/c1-3-11-25-22(26-16-9-6-7-14(2)12-16)18(20)21-27-28(23,24)17-10-5-4-8-15(17)13-19/h4-10,12H,3,11H2,1-2H3,(H2,20,21)