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

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-pyrrolidinosulfonylphenyl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OCC#N

InChI

InChI=1S/C22H22N2O5S/c1-28-22-16-17(5-11-21(22)29-15-12-23)4-10-20(25)18-6-8-19(9-7-18)30(26,27)24-13-2-3-14-24/h4-11,16H,2-3,13-15H2,1H3/b10-4+