(E)-3-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[4-methoxy-3-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[4-methoxy-3-(2-morpholin-4-ium-4-ylethoxy)phenyl]acrylonitrile Formula: C22H25N2O5S+ MolecularWeight: 429.5093

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)OCC[NH+]3CCOCC3

InChI

InChI=1S/C22H24N2O5S/c1-27-21-8-7-18(16-22(21)29-14-11-24-9-12-28-13-10-24)15-20(17-23)30(25,26)19-5-3-2-4-6-19/h2-8,15-16H,9-14H2,1H3/p+1/b20-15+