ethyl 2-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]amino]acetate CAS Name: 2-[[2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetyl]amino]acetate Traditional Name: 2-[[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]amino]acetic acid ethyl ester Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)CNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H20FN3O5S/c1-2-30-21(27)13-24-20(26)14-25(17-8-6-16(22)7-9-17)31(28,29)19-5-3-4-15-12-23-11-10-18(15)19/h3-12H,2,13-14H2,1H3,(H,24,26)