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

Systemtic Name: ethanoyl fluoride; 2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)-N-(phenylsulfonyl)ethanamide Openeye Name: acetyl fluoride; N-(benzenesulfonyl)-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide CAS Name: acetyl fluoride; N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)acetamide IUPAC Name: acetyl fluoride; N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetamide Traditional Name: acetyl fluoride; N-besyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide Formula: C34H38F3N3O8S MolecularWeight: 705.74103

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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)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)NC3=CC4=C(C=C3)C=NC=C4)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C28H29N3O5S.3C2H3FO/c1-4-35-26-17-21(11-13-25(26)36-19(2)3)27(28(32)31-37(33,34)24-8-6-5-7-9-24)30-23-12-10-22-18-29-15-14-20(22)16-23;3*1-2(3)4/h5-19,27,30H,4H2,1-3H3,(H,31,32);3*1H3