3-methoxy-4-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-piperidinosulfonylphenyl)ethoxy]-3-methoxy-benzonitrile Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22N2O5S/c1-27-21-13-16(14-22)5-10-20(21)28-15-19(24)17-6-8-18(9-7-17)29(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,15H2,1H3