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

Systemtic Name: methyl 4-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H20FN3O5S MolecularWeight: 493.506803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C25H20FN3O5S/c1-34-25(31)17-5-9-20(10-6-17)28-24(30)16-29(21-11-7-19(26)8-12-21)35(32,33)23-4-2-3-18-15-27-14-13-22(18)23/h2-15H,16H2,1H3,(H,28,30)