[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] butane-1-sulfonate

Systemtic Name: [(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] butane-1-sulfonate Openeye Name: [(Z)-[cyano-(4-methoxyphenyl)methylene]amino] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [(Z)-[cyano-(4-methoxyphenyl)methylene]amino] ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)ON=C(C#N)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCCS(=O)(=O)O/N=C(\C#N)/C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H16N2O4S/c1-3-4-9-20(16,17)19-15-13(10-14)11-5-7-12(18-2)8-6-11/h5-8H,3-4,9H2,1-2H3/b15-13+