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

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methyl-2-morpholin-4-yl-propyl)butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methyl-2-morpholino-propyl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[2-methyl-2-(4-morpholinyl)propyl]butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-(2-methyl-2-morpholino-propyl)butyramide Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C)(C)N1CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(C)(C)N1CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H33N3O6S/c1-15(2)19(20(25)22-14-21(3,4)24-7-9-28-10-8-24)23-31(26,27)16-5-6-17-18(13-16)30-12-11-29-17/h5-6,13,15,19,23H,7-12,14H2,1-4H3,(H,22,25)/t19-/m0/s1