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

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-[(2R)-octan-2-yl]butanamide Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1R)-1-methylheptyl]-4-methylsulfanyl-butanamide CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-[(2R)-octan-2-yl]butanamide IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-[(2R)-octan-2-yl]butanamide Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1R)-1-methylheptyl]-4-(methylthio)butyramide Formula: C21H34N2O5S2 MolecularWeight: 458.63506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O5S2/c1-4-5-6-7-8-16(2)22-21(24)18(11-14-29-3)23-30(25,26)17-9-10-19-20(15-17)28-13-12-27-19/h9-10,15-16,18,23H,4-8,11-14H2,1-3H3,(H,22,24)/t16-,18-/m1/s1