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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c1-16-2-8-19(9-3-16)35(33,34)26-20(23(31)32)13-25-21(29)14-28-11-10-27(15-22(28)30)18-6-4-17(12-24)5-7-18/h2-9,20,26H,10-11,13-15H2,1H3,(H,25,29)(H,31,32)/p-1