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

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-[(phenylmethyl)sulfonylamino]propanoate Openeye Name: 2-(benzylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-[(phenylmethyl)sulfonylamino]propanoate IUPAC Name: 2-(benzylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 2-(benzylsulfonylamino)-3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]propionate Formula: C23H24N5O6S- MolecularWeight: 498.53156

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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)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)[O-])NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O6S/c24-12-17-6-8-19(9-7-17)27-10-11-28(22(30)15-27)14-21(29)25-13-20(23(31)32)26-35(33,34)16-18-4-2-1-3-5-18/h1-9,20,26H,10-11,13-16H2,(H,25,29)(H,31,32)/p-1