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

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-(4-morpholinosulfonylphenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-morpholinosulfonylphenyl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C22H22N2O6S MolecularWeight: 442.48488

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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)N3CCOCC3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OCC#N

InChI

InChI=1S/C22H22N2O6S/c1-28-22-16-17(3-9-21(22)30-13-10-23)2-8-20(25)18-4-6-19(7-5-18)31(26,27)24-11-14-29-15-12-24/h2-9,16H,11-15H2,1H3/b8-2+