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

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoate IUPAC Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]propionate Formula: C22H22N5O6S- MolecularWeight: 484.50498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)[O-])NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)[O-])NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O6S/c23-12-16-6-8-17(9-7-16)26-10-11-27(21(29)15-26)14-20(28)24-13-19(22(30)31)25-34(32,33)18-4-2-1-3-5-18/h1-9,19,25H,10-11,13-15H2,(H,24,28)(H,30,31)/p-1