N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanamide; ethanoyl fluoride

Systemtic Name: N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanamide; ethanoyl fluoride Openeye Name: acetyl fluoride; N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide CAS Name: acetyl fluoride; N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)acetamide IUPAC Name: acetyl fluoride; N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetamide Traditional Name: acetyl fluoride; N-(3-cyanophenyl)sulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide Formula: C35H37F3N4O8S MolecularWeight: 730.75049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC(=C2)C#N)NC3=CC4=C(C=C3)C=NC=C4)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC=CC(=C2)C#N)NC3=CC4=C(C=C3)C=NC=C4)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C29H28N4O5S.3C2H3FO/c1-4-37-27-16-22(9-11-26(27)38-19(2)3)28(32-24-10-8-23-18-31-13-12-21(23)15-24)29(34)33-39(35,36)25-7-5-6-20(14-25)17-30;3*1-2(3)4/h5-16,18-19,28,32H,4H2,1-3H3,(H,33,34);3*1H3