butyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: butyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: butyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid butyl ester IUPAC Name: butyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid butyl ester Formula: C17H25NO6S MolecularWeight: 371.4485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCOC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H25NO6S/c1-4-5-8-24-17(19)16(12(2)3)18-25(20,21)13-6-7-14-15(11-13)23-10-9-22-14/h6-7,11-12,16,18H,4-5,8-10H2,1-3H3/t16-/m0/s1