2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-methyl-butanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-methyl-butanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-methylbutanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-methylbutanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-methyl-butyric acid Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2C(C=C1)SC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2C(C=C1)SC3=CC=CC=C3O2

InChI

InChI=1S/C17H19NO5S2/c1-10(2)16(17(19)20)18-25(21,22)11-7-8-15-13(9-11)23-12-5-3-4-6-14(12)24-15/h3-10,13,15-16,18H,1-2H3,(H,19,20)