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

Systemtic Name: ethyl N-[3-[[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)ethanoyl]amino]methyl]-4-ethylsulfonyl-phenyl]carbamate Openeye Name: ethyl N-[3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(5-ethoxy-2-fluoro-phenyl)acetyl]amino]methyl]-4-ethylsulfonyl-phenyl]carbamate CAS Name: N-[3-[[[2-[(1-amino-6-isoquinolinyl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-oxoethyl]amino]methyl]-4-ethylsulfonylphenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[[2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)acetyl]amino]methyl]-4-ethylsulfonylphenyl]carbamate Traditional Name: N-[3-[[[2-[(1-amino-6-isoquinolyl)amino]-2-(5-ethoxy-2-fluoro-phenyl)acetyl]amino]methyl]-4-esyl-phenyl]carbamic acid ethyl ester Formula: C31H34FN5O6S MolecularWeight: 623.694963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)F)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)OCC)S(=O)(=O)CC)NC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CCOC1=CC(=C(C=C1)F)C(C(=O)NCC2=C(C=CC(=C2)NC(=O)OCC)S(=O)(=O)CC)NC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C31H34FN5O6S/c1-4-42-23-9-11-26(32)25(17-23)28(36-21-7-10-24-19(15-21)13-14-34-29(24)33)30(38)35-18-20-16-22(37-31(39)43-5-2)8-12-27(20)44(40,41)6-3/h7-17,28,36H,4-6,18H2,1-3H3,(H2,33,34)(H,35,38)(H,37,39)