3-(3-cyanophenyl)-2-[2-[(4-cyanophenyl)sulfonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(3-cyanophenyl)-2-[2-[(4-cyanophenyl)sulfonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-cyanophenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]acetyl]amino]propanoic acid CAS Name: 3-(3-cyanophenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]acetyl]amino]propanoic acid Traditional Name: 3-(3-cyanophenyl)-2-[[2-[(4-cyanophenyl)sulfonylamino]acetyl]amino]propionic acid Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CC(C(=O)O)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C#N)C#N

InChI

InChI=1S/C19H16N4O5S/c20-10-13-4-6-16(7-5-13)29(27,28)22-12-18(24)23-17(19(25)26)9-14-2-1-3-15(8-14)11-21/h1-8,17,22H,9,12H2,(H,23,24)(H,25,26)