2-[(2-acetamidophenoxy)methyl]-3-[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonyl-propanoic acid

Systemtic Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonyl-propanoic acid Openeye Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-[(4-cyanobenzoyl)amino]phenyl]sulfonyl-propanoic acid CAS Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]sulfonylpropanoic acid IUPAC Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-[(4-cyanobenzoyl)amino]phenyl]sulfonylpropanoic acid Traditional Name: 2-[(2-acetamidophenoxy)methyl]-3-[4-[(4-cyanobenzoyl)amino]phenyl]sulfonyl-propionic acid Formula: C26H23N3O7S MolecularWeight: 521.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C26H23N3O7S/c1-17(30)28-23-4-2-3-5-24(23)36-15-20(26(32)33)16-37(34,35)22-12-10-21(11-13-22)29-25(31)19-8-6-18(14-27)7-9-19/h2-13,20H,15-16H2,1H3,(H,28,30)(H,29,31)(H,32,33)