methyl (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[[4-(6-fluoranylhex-1-ynyl)phenyl]sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C18H24FNO4S MolecularWeight: 368.453398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCCF

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCC[18F]

InChI

InChI=1S/C18H24FNO4S/c1-14(2)17(18(21)24-3)20-25(22,23)16-11-9-15(10-12-16)8-6-4-5-7-13-19/h9-12,14,17,20H,4-5,7,13H2,1-3H3/t17-/m1/s1/i19-1