(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methylpentyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methylpentyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-isohexyl-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methylpentyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(4-methylpentyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-isohexyl-4-(methylthio)butyramide Formula: C19H30N2O5S2 MolecularWeight: 430.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CCCNC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C19H30N2O5S2/c1-14(2)5-4-9-20-19(22)16(8-12-27-3)21-28(23,24)15-6-7-17-18(13-15)26-11-10-25-17/h6-7,13-14,16,21H,4-5,8-12H2,1-3H3,(H,20,22)/t16-/m0/s1