N-[2,2-bis(fluoranyl)ethyl]-3-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanamide

Systemtic Name: N-[2,2-bis(fluoranyl)ethyl]-3-[[5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanamide Openeye Name: N-(2,2-difluoroethyl)-3-[[5-(3-fluoro-4-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propanamide CAS Name: N-(2,2-difluoroethyl)-3-[[[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]propanamide IUPAC Name: N-(2,2-difluoroethyl)-3-[[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]propanamide Traditional Name: N-(2,2-difluoroethyl)-3-[[5-(3-fluoro-4-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]propionamide Formula: C17H19F3N4O4S2 MolecularWeight: 464.48237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC(=O)NCC(F)F)C2=CC(=C(C=C2)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC(=O)NCC(F)F)C2=CC(=C(C=C2)S(=O)(=O)C)F

InChI

InChI=1S/C17H19F3N4O4S2/c1-9-15(10-3-4-12(11(18)7-10)30(2,27)28)29-17(23-9)24-16(26)21-6-5-14(25)22-8-13(19)20/h3-4,7,13H,5-6,8H2,1-2H3,(H,22,25)(H2,21,23,24,26)