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

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]amino]benzoic acid ethyl ester Formula: C26H22FN3O5S MolecularWeight: 507.533383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H22FN3O5S/c1-2-35-26(32)18-6-10-21(11-7-18)29-25(31)17-30(22-12-8-20(27)9-13-22)36(33,34)24-5-3-4-19-16-28-15-14-23(19)24/h3-16H,2,17H2,1H3,(H,29,31)