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

Systemtic Name: N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanamide; ethanoyl fluoride Openeye Name: acetyl fluoride; N-cyclopropylsulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide CAS Name: acetyl fluoride; N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)acetamide IUPAC Name: acetyl fluoride; N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetamide Traditional Name: acetyl fluoride; N-cyclopropylsulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetamide Formula: C31H38F3N3O8S MolecularWeight: 669.70893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2CC2)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)C2CC2)NC3=CC4=C(C=C3)C=NC=C4)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C25H29N3O5S.3C2H3FO/c1-4-32-23-14-18(6-10-22(23)33-16(2)3)24(25(29)28-34(30,31)21-8-9-21)27-20-7-5-19-15-26-12-11-17(19)13-20;3*1-2(3)4/h5-7,10-16,21,24,27H,4,8-9H2,1-3H3,(H,28,29);3*1H3