4-methyl-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid Openeye Name: 4-methyl-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid CAS Name: 4-methyl-2-(2-phenoxathiinylsulfonylamino)pentanoic acid IUPAC Name: 4-methyl-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid Traditional Name: 4-methyl-2-(phenoxathiin-2-ylsulfonylamino)valeric acid Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2

InChI

InChI=1S/C18H19NO5S2/c1-11(2)9-13(18(20)21)19-26(22,23)12-7-8-15-17(10-12)25-16-6-4-3-5-14(16)24-15/h3-8,10-11,13,19H,9H2,1-2H3,(H,20,21)