N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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