(2S)-N-[4-(cyanomethoxy)phenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-N-[4-(cyanomethoxy)phenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-N-[4-(cyanomethoxy)phenyl]-3-methyl-2-(2-thienylsulfonylamino)butanamide CAS Name: (2S)-N-[4-(cyanomethoxy)phenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: (2S)-N-[4-(cyanomethoxy)phenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-N-[4-(cyanomethoxy)phenyl]-3-methyl-2-(2-thienylsulfonylamino)butyramide Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)OCC#N)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)OCC#N)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H19N3O4S2/c1-12(2)16(20-26(22,23)15-4-3-11-25-15)17(21)19-13-5-7-14(8-6-13)24-10-9-18/h3-8,11-12,16,20H,10H2,1-2H3,(H,19,21)/t16-/m0/s1