N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(2-thienylsulfonylamino)butanamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-3-methyl-2-(2-thienylsulfonylamino)butyramide Formula: C18H23FN2O3S3 MolecularWeight: 430.580223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1F)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)NCCSCC1=CC=CC=C1F)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C18H23FN2O3S3/c1-13(2)17(21-27(23,24)16-8-5-10-26-16)18(22)20-9-11-25-12-14-6-3-4-7-15(14)19/h3-8,10,13,17,21H,9,11-12H2,1-2H3,(H,20,22)