2-[2-[(E)-2-cyano-3-oxidanylidene-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-cyano-3-oxidanylidene-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-cyano-3-oxo-3-[3-(1-piperidylsulfonyl)anilino]prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-cyano-3-oxo-3-[3-(1-piperidinylsulfonyl)anilino]prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-cyano-3-oxo-3-(3-piperidin-1-ylsulfonylanilino)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-2-cyano-3-keto-3-(3-piperidinosulfonylanilino)prop-1-enyl]phenoxy]acetic acid Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=CC=CC=C3OCC(=O)O)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=CC=CC=C3OCC(=O)O)/C#N

InChI

InChI=1S/C23H23N3O6S/c24-15-18(13-17-7-2-3-10-21(17)32-16-22(27)28)23(29)25-19-8-6-9-20(14-19)33(30,31)26-11-4-1-5-12-26/h2-3,6-10,13-14H,1,4-5,11-12,16H2,(H,25,29)(H,27,28)/b18-13+