[(E)-[cyano-(4-methylphenyl)methylidene]amino] propane-1-sulfonate

Systemtic Name: [(E)-[cyano-(4-methylphenyl)methylidene]amino] propane-1-sulfonate Openeye Name: [(E)-[cyano(p-tolyl)methylene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(E)-[cyano-(4-methylphenyl)methylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(E)-[cyano(p-tolyl)methylene]amino] ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C(C#N)C1=CC=C(C=C1)C

Isomeric SMILES

CCCS(=O)(=O)O/N=C(/C#N)\C1=CC=C(C=C1)C

InChI

InChI=1S/C12H14N2O3S/c1-3-8-18(15,16)17-14-12(9-13)11-6-4-10(2)5-7-11/h4-7H,3,8H2,1-2H3/b14-12-