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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H22FN3O3S/c1-18-5-7-19(8-6-18)15-28-25(30)17-29(22-11-9-21(26)10-12-22)33(31,32)24-4-2-3-20-16-27-14-13-23(20)24/h2-14,16H,15,17H2,1H3,(H,28,30)