2-[(1-azanyl-5-fluoranyl-isoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-[(1-azanyl-5-fluoranyl-isoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-[(1-amino-5-fluoro-6-isoquinolyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide CAS Name: 2-[(1-amino-5-fluoro-6-isoquinolinyl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide IUPAC Name: 2-[(1-amino-5-fluoroisoquinolin-6-yl)amino]-N-[(2-cyclopropylsulfonylphenyl)methyl]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide Traditional Name: 2-[(1-amino-5-fluoro-6-isoquinolyl)amino]-N-(2-cyclopropylsulfonylbenzyl)-2-(3-ethoxy-4-isopropoxy-phenyl)acetamide Formula: C32H35FN4O5S MolecularWeight: 606.707503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=C(C5=C(C=C4)C(=NC=C5)N)F)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NCC2=CC=CC=C2S(=O)(=O)C3CC3)NC4=C(C5=C(C=C4)C(=NC=C5)N)F)OC(C)C

InChI

InChI=1S/C32H35FN4O5S/c1-4-41-27-17-20(9-14-26(27)42-19(2)3)30(37-25-13-12-24-23(29(25)33)15-16-35-31(24)34)32(38)36-18-21-7-5-6-8-28(21)43(39,40)22-10-11-22/h5-9,12-17,19,22,30,37H,4,10-11,18H2,1-3H3,(H2,34,35)(H,36,38)