2-[4-[(E)-2-cyano-3-oxidanylidene-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-[(3-piperidin-1-ylsulfonylphenyl)amino]prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-cyano-3-oxo-3-[3-(1-piperidylsulfonyl)anilino]prop-1-enyl]phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-[3-(1-piperidinylsulfonyl)anilino]prop-1-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-2-cyano-3-oxo-3-(3-piperidin-1-ylsulfonylanilino)prop-1-enyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-piperidinosulfonylanilino)prop-1-enyl]phenoxy]acetate Formula: C23H22N3O6S- MolecularWeight: 468.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=CC=C(C=C3)OCC(=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)[O-])/C#N

InChI

InChI=1S/C23H23N3O6S/c24-15-18(13-17-7-9-20(10-8-17)32-16-22(27)28)23(29)25-19-5-4-6-21(14-19)33(30,31)26-11-2-1-3-12-26/h4-10,13-14H,1-3,11-12,16H2,(H,25,29)(H,27,28)/p-1/b18-13+