(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethyl-2-morpholin-4-yl-pentyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethyl-2-morpholin-4-yl-pentyl)-3-methyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethyl-2-morpholino-pentyl)-3-methyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-ethyl-2-(4-morpholinyl)pentyl]-3-methylbutanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-ethyl-2-morpholino-pentyl)-3-methyl-butyramide Formula: C24H39N3O6S MolecularWeight: 497.64796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C(C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2)N3CCOCC3

InChI

InChI=1S/C24H39N3O6S/c1-5-18(6-2)20(27-9-11-31-12-10-27)16-25-24(28)23(17(3)4)26-34(29,30)19-7-8-21-22(15-19)33-14-13-32-21/h7-8,15,17-18,20,23,26H,5-6,9-14,16H2,1-4H3,(H,25,28)/t20?,23-/m0/s1