(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1S)-1-methylhexyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1S)-1-methylhexyl]-4-(methylthio)butyramide Formula: C20H32N2O5S2 MolecularWeight: 444.60848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C20H32N2O5S2/c1-4-5-6-7-15(2)21-20(23)17(10-13-28-3)22-29(24,25)16-8-9-18-19(14-16)27-12-11-26-18/h8-9,14-15,17,22H,4-7,10-13H2,1-3H3,(H,21,23)/t15-,17-/m0/s1