6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-octan-2-yl]hexanamide

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-octan-2-yl]hexanamide Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1S)-1-methylheptyl]hexanamide CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-octan-2-yl]hexanamide IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-octan-2-yl]hexanamide Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1S)-1-methylheptyl]hexanamide Formula: C22H36N2O5S MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O5S/c1-3-4-5-7-10-18(2)24-22(25)11-8-6-9-14-23-30(26,27)19-12-13-20-21(17-19)29-16-15-28-20/h12-13,17-18,23H,3-11,14-16H2,1-2H3,(H,24,25)/t18-/m0/s1