(2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(2-thienylsulfonylamino)butanamide CAS Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(2-thienylsulfonylamino)butyramide Formula: C17H19BrN2O5S2 MolecularWeight: 475.37716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1Br)OCCO2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1Br)OCCO2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrN2O5S2/c1-10(2)16(20-27(22,23)15-4-3-7-26-15)17(21)19-12-9-14-13(8-11(12)18)24-5-6-25-14/h3-4,7-10,16,20H,5-6H2,1-2H3,(H,19,21)/t16-/m0/s1