4-[2-(4-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-methoxyphenyl)-5-morpholinosulfonyl-1,3-benzodioxol-2-yl]benzonitrile CAS Name: 4-[2-(4-methoxyphenyl)-5-(4-morpholinylsulfonyl)-1,3-benzodioxol-2-yl]benzonitrile IUPAC Name: 4-[2-(4-methoxyphenyl)-5-morpholin-4-ylsulfonyl-1,3-benzodioxol-2-yl]benzonitrile Traditional Name: 4-[2-(4-methoxyphenyl)-5-morpholinosulfonyl-1,3-benzodioxol-2-yl]benzonitrile Formula: C25H22N2O6S MolecularWeight: 478.51698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H22N2O6S/c1-30-21-8-6-20(7-9-21)25(19-4-2-18(17-26)3-5-19)32-23-11-10-22(16-24(23)33-25)34(28,29)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3