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

Systemtic Name: 2-[4-[(E)-3-oxidanylidene-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-oxo-3-[4-(1-piperidylsulfonyl)phenyl]prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-oxo-3-(4-piperidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-piperidinosulfonylphenyl)prop-1-enyl]phenoxy]acetonitrile Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c23-14-17-28-20-9-4-18(5-10-20)6-13-22(25)19-7-11-21(12-8-19)29(26,27)24-15-2-1-3-16-24/h4-13H,1-3,15-17H2/b13-6+