2-(butylsulfonylamino)-3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoate

Systemtic Name: 2-(butylsulfonylamino)-3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoate Openeye Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoate IUPAC Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 2-(butylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]propionate Formula: C20H26N5O6S- MolecularWeight: 464.51534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C20H27N5O6S/c1-2-3-10-32(30,31)23-17(20(28)29)12-22-18(26)13-25-9-8-24(14-19(25)27)16-6-4-15(11-21)5-7-16/h4-7,17,23H,2-3,8-10,12-14H2,1H3,(H,22,26)(H,28,29)/p-1