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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-propan-2-yl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-isopropyl-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-propan-2-ylbutanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-propan-2-ylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-isopropyl-4-(methylthio)butyramide Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S2/c1-11(2)17-16(19)13(6-9-24-3)18-25(20,21)12-4-5-14-15(10-12)23-8-7-22-14/h4-5,10-11,13,18H,6-9H2,1-3H3,(H,17,19)/t13-/m0/s1