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

Systemtic Name: 2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide CAS Name: 2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-N-prop-2-enylacetamide IUPAC Name: 2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetamide Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C=CCNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H18FN3O3S/c1-2-11-23-20(25)14-24(17-8-6-16(21)7-9-17)28(26,27)19-5-3-4-15-13-22-12-10-18(15)19/h2-10,12-13H,1,11,14H2,(H,23,25)