N-[3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)ethanoyl]amino]methyl]-4-ethylsulfonyl-phenyl]pentanamide

Systemtic Name: N-[3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)ethanoyl]amino]methyl]-4-ethylsulfonyl-phenyl]pentanamide Openeye Name: N-[3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(5-ethoxy-2-fluoro-phenyl)acetyl]amino]methyl]-4-ethylsulfonyl-phenyl]pentanamide CAS Name: N-[3-[[[2-[(1-amino-6-isoquinolinyl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-oxoethyl]amino]methyl]-4-ethylsulfonylphenyl]pentanamide IUPAC Name: N-[3-[[[2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)acetyl]amino]methyl]-4-ethylsulfonylphenyl]pentanamide Traditional Name: N-[3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(5-ethoxy-2-fluoro-phenyl)acetyl]amino]methyl]-4-esyl-phenyl]valeramide Formula: C33H38FN5O5S MolecularWeight: 635.748723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)CC)CNC(=O)C(C2=C(C=CC(=C2)OCC)F)NC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)CC)CNC(=O)C(C2=C(C=CC(=C2)OCC)F)NC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C33H38FN5O5S/c1-4-7-8-30(40)38-23-10-14-29(45(42,43)6-3)22(18-23)20-37-33(41)31(27-19-25(44-5-2)11-13-28(27)34)39-24-9-12-26-21(17-24)15-16-36-32(26)35/h9-19,31,39H,4-8,20H2,1-3H3,(H2,35,36)(H,37,41)(H,38,40)