2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)acetamide Formula: C21H23FN4O3S2 MolecularWeight: 462.560723

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2C=CN=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2C=CN=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O3S2/c1-30-19-6-8-20(9-7-19)31(28,29)26(18-5-2-4-17(22)14-18)15-21(27)24-10-3-12-25-13-11-23-16-25/h2,4-9,11,13-14,16H,3,10,12,15H2,1H3,(H,24,27)