3-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-(4-morpholinosulfonylphenyl)-2-oxo-ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-morpholinosulfonylphenyl)ethoxy]-3-methoxy-benzonitrile Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-26-20-12-15(13-21)2-7-19(20)28-14-18(23)16-3-5-17(6-4-16)29(24,25)22-8-10-27-11-9-22/h2-7,12H,8-11,14H2,1H3