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

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-[(4-phenylphenyl)sulfonylamino]propanoate Openeye Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-[(4-phenylphenyl)sulfonylamino]propanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-[(4-phenylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-[(4-phenylphenyl)sulfonylamino]propanoate Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-2-[(4-phenylphenyl)sulfonylamino]propionate Formula: C28H26N5O6S- MolecularWeight: 560.60094

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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=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N5O6S/c29-16-20-6-10-23(11-7-20)32-14-15-33(27(35)19-32)18-26(34)30-17-25(28(36)37)31-40(38,39)24-12-8-22(9-13-24)21-4-2-1-3-5-21/h1-13,25,31H,14-15,17-19H2,(H,30,34)(H,36,37)/p-1