2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(4-fluorophenyl)sulfonyl-ethanamide

Systemtic Name: 2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-N-(4-fluorophenyl)sulfonyl-ethanamide Openeye Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(4-fluorophenyl)sulfonyl-acetamide CAS Name: 2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)sulfonylacetamide IUPAC Name: 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)sulfonylacetamide Traditional Name: 2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-N-(4-fluorophenyl)sulfonyl-acetamide Formula: C28H29FN4O5S MolecularWeight: 552.617063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O5S/c1-4-37-25-16-19(5-12-24(25)38-17(2)3)26(28(34)33-39(35,36)22-9-6-20(29)7-10-22)32-21-8-11-23-18(15-21)13-14-31-27(23)30/h5-17,26,32H,4H2,1-3H3,(H2,30,31)(H,33,34)