N-(4-ethylphenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(4-ethylphenyl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(4-ethylphenyl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(4-ethylphenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCC1=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/C25H22FN3O3S/c1-2-18-6-10-21(11-7-18)28-25(30)17-29(22-12-8-20(26)9-13-22)33(31,32)24-5-3-4-19-16-27-15-14-23(19)24/h3-16H,2,17H2,1H3,(H,28,30)