4-[3-(1H-imidazol-5-yl)-2-[2-(2-methylsulfonylethyl)-5-oxidanylidene-piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-(1H-imidazol-5-yl)-2-[2-(2-methylsulfonylethyl)-5-oxidanylidene-piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-(1H-imidazol-5-yl)-2-[2-(2-methylsulfonylethyl)-5-oxo-piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-(1H-imidazol-5-yl)-2-[2-(2-methylsulfonylethyl)-5-oxo-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-(1H-imidazol-5-yl)-2-[2-(2-methylsulfonylethyl)-5-oxopiperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-(1H-imidazol-5-yl)-3-keto-2-[5-keto-2-(2-mesylethyl)piperazino]propyl]benzonitrile Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC1CNC(=O)CN1C(CC2=CC=C(C=C2)C#N)C(=O)C3=CN=CN3

Isomeric SMILES

CS(=O)(=O)CCC1CNC(=O)CN1C(CC2=CC=C(C=C2)C#N)C(=O)C3=CN=CN3

InChI

InChI=1S/C20H23N5O4S/c1-30(28,29)7-6-16-10-23-19(26)12-25(16)18(20(27)17-11-22-13-24-17)8-14-2-4-15(9-21)5-3-14/h2-5,11,13,16,18H,6-8,10,12H2,1H3,(H,22,24)(H,23,26)