2-[(1-azanylisoquinolin-6-yl)amino]-N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide; ethanoyl fluoride

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-[(1-amino-6-isoquinolyl)amino]-N-cyclopropylsulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: acetyl fluoride; 2-[(1-amino-6-isoquinolinyl)amino]-N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: acetyl fluoride; 2-[(1-aminoisoquinolin-6-yl)amino]-N-cyclopropylsulfonyl-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: acetyl fluoride; 2-[(1-amino-6-isoquinolyl)amino]-N-cyclopropylsulfonyl-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C31H39F3N4O8S MolecularWeight: 684.72357

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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)N)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)N)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C25H30N4O5S.3C2H3FO/c1-4-33-22-14-17(5-10-21(22)34-15(2)3)23(25(30)29-35(31,32)19-7-8-19)28-18-6-9-20-16(13-18)11-12-27-24(20)26;3*1-2(3)4/h5-6,9-15,19,23,28H,4,7-8H2,1-3H3,(H2,26,27)(H,29,30);3*1H3