[(E)-[3-oxidanylidene-4-(phenylmethyl)thiomorpholin-2-ylidene]amino] 4-fluoranylbenzenesulfonate

Systemtic Name: [(E)-[3-oxidanylidene-4-(phenylmethyl)thiomorpholin-2-ylidene]amino] 4-fluoranylbenzenesulfonate Openeye Name: [(E)-(4-benzyl-3-oxo-thiomorpholin-2-ylidene)amino] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [(E)-[3-oxo-4-(phenylmethyl)-2-thiomorpholinylidene]amino] ester IUPAC Name: [(E)-(4-benzyl-3-oxothiomorpholin-2-ylidene)amino] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [(E)-(4-benzyl-3-keto-thiomorpholin-2-ylidene)amino] ester Formula: C17H15FN2O4S2 MolecularWeight: 394.440403

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=NOS(=O)(=O)C2=CC=C(C=C2)F)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C1CS/C(=N/OS(=O)(=O)C2=CC=C(C=C2)F)/C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C17H15FN2O4S2/c18-14-6-8-15(9-7-14)26(22,23)24-19-16-17(21)20(10-11-25-16)12-13-4-2-1-3-5-13/h1-9H,10-12H2/b19-16+