(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H22ClNO6S MolecularWeight: 391.86698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C16H22ClNO6S/c1-3-4-5-25(20,21)18-11(2)16(19)23-9-13-7-14(17)6-12-8-22-10-24-15(12)13/h6-7,11,18H,3-5,8-10H2,1-2H3/t11-/m0/s1