2-[[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonylmethyl]-2-oxidanyl-3-phenoxy-propanoic acid

Systemtic Name: 2-[[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonylmethyl]-2-oxidanyl-3-phenoxy-propanoic acid Openeye Name: 2-[[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxy-propanoic acid CAS Name: 2-[[4-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxypropanoic acid IUPAC Name: 2-[[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxypropanoic acid Traditional Name: 2-[[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxy-propionic acid Formula: C24H20N2O7S MolecularWeight: 480.4898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)(C(=O)O)O

InChI

InChI=1S/C24H20N2O7S/c25-14-17-6-8-18(9-7-17)22(27)26-19-10-12-21(13-11-19)34(31,32)16-24(30,23(28)29)15-33-20-4-2-1-3-5-20/h1-13,30H,15-16H2,(H,26,27)(H,28,29)