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

Systemtic Name: ethanoyl fluoride; 2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)-N-(3-sulfamoylphenyl)sulfonyl-ethanamide Openeye Name: acetyl fluoride; 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)-N-(3-sulfamoylphenyl)sulfonyl-acetamide CAS Name: acetyl fluoride; 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)-N-(3-sulfamoylphenyl)sulfonylacetamide IUPAC Name: acetyl fluoride; 2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)-N-(3-sulfamoylphenyl)sulfonylacetamide Traditional Name: acetyl fluoride; 2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)-N-(3-sulfamoylphenyl)sulfonyl-acetamide Formula: C34H39F3N4O10S2 MolecularWeight: 784.81947

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H30N4O7S2.3C2H3FO/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35;3*1-2(3)4/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35);3*1H3