N-[(3-carbamimidoylphenyl)methyl]-2-[4-(3-fluoranyl-2-methylsulfonyl-phenyl)phenyl]-2-oxidanylidene-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-2-[4-(3-fluoranyl-2-methylsulfonyl-phenyl)phenyl]-2-oxidanylidene-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: N-[(3-carbamimidoylphenyl)methyl]-2-[4-(3-fluoro-2-methylsulfonyl-phenyl)phenyl]-2-oxo-N-(2,2,2-trifluoroethyl)acetamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-2-[4-(3-fluoro-2-methylsulfonylphenyl)phenyl]-2-oxo-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-2-[4-(3-fluoro-2-methylsulfonylphenyl)phenyl]-2-oxo-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: N-(3-amidinobenzyl)-2-[4-(3-fluoro-2-mesyl-phenyl)phenyl]-2-keto-N-(2,2,2-trifluoroethyl)acetamide Formula: C25H21F4N3O4S MolecularWeight: 535.510553

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC=C1F)C2=CC=C(C=C2)C(=O)C(=O)N(CC3=CC=CC(=C3)C(=N)N)CC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC=C1F)C2=CC=C(C=C2)C(=O)C(=O)N(CC3=CC=CC(=C3)C(=N)N)CC(F)(F)F

InChI

InChI=1S/C25H21F4N3O4S/c1-37(35,36)22-19(6-3-7-20(22)26)16-8-10-17(11-9-16)21(33)24(34)32(14-25(27,28)29)13-15-4-2-5-18(12-15)23(30)31/h2-12H,13-14H2,1H3,(H3,30,31)