3-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]but-2-enamide

Systemtic Name: 3-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]but-2-enamide Openeye Name: 3-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]but-2-enamide CAS Name: 3-methyl-N-[5-(1-pyrrolidinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-2-butenamide IUPAC Name: 3-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]but-2-enamide Traditional Name: 3-methyl-N-[5-pyrrolidinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]but-2-enamide Formula: C17H21F3N2O4S MolecularWeight: 406.41985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(F)(F)F)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(F)(F)F)C

InChI

InChI=1S/C17H21F3N2O4S/c1-12(2)9-16(23)21-14-10-13(27(24,25)22-7-3-4-8-22)5-6-15(14)26-11-17(18,19)20/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,21,23)