(2S,3S)-2-[(3-fluoranyl-4-methoxy-phenyl)sulfonylamino]-3-methyl-hexanoic acid

Systemtic Name: (2S,3S)-2-[(3-fluoranyl-4-methoxy-phenyl)sulfonylamino]-3-methyl-hexanoic acid Openeye Name: (2S,3S)-2-[(3-fluoro-4-methoxy-phenyl)sulfonylamino]-3-methyl-hexanoic acid CAS Name: (2S,3S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-3-methylhexanoic acid IUPAC Name: (2S,3S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-3-methylhexanoic acid Traditional Name: (2S,3S)-2-[(3-fluoro-4-methoxy-phenyl)sulfonylamino]-3-methyl-hexanoic acid Formula: C14H20FNO5S MolecularWeight: 333.375703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

CCC[C@H](C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C14H20FNO5S/c1-4-5-9(2)13(14(17)18)16-22(19,20)10-6-7-12(21-3)11(15)8-10/h6-9,13,16H,4-5H2,1-3H3,(H,17,18)/t9-,13-/m0/s1