ethyl (4E)-4-[(3-piperidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]-4-thiophen-2-yl-butanoate

Systemtic Name: ethyl (4E)-4-[(3-piperidin-1-ylsulfonylphenyl)carbonylhydrazinylidene]-4-thiophen-2-yl-butanoate Openeye Name: ethyl (4E)-4-[[3-(1-piperidylsulfonyl)benzoyl]hydrazono]-4-(2-thienyl)butanoate CAS Name: (4E)-4-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid ethyl ester IUPAC Name: ethyl (4E)-4-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]-4-thiophen-2-ylbutanoate Traditional Name: (4E)-4-[(3-piperidinosulfonylbenzoyl)hydrazono]-4-(2-thienyl)butyric acid ethyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)/C3=CC=CS3

InChI

InChI=1S/C22H27N3O5S2/c1-2-30-21(26)12-11-19(20-10-7-15-31-20)23-24-22(27)17-8-6-9-18(16-17)32(28,29)25-13-4-3-5-14-25/h6-10,15-16H,2-5,11-14H2,1H3,(H,24,27)/b23-19+