(3R,4S)-3-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide

Systemtic Name: (3R,4S)-3-(4-fluoranyl-3-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(4-fluoro-3-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-(1-piperidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-piperidin-1-ium-1-ylthiolane 1,1-dioxide Traditional Name: (3R,4S)-3-(4-fluoro-3-methyl-phenyl)sulfonyl-4-piperidin-1-ium-1-yl-sulfolane Formula: C16H23FNO4S2+ MolecularWeight: 376.486523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCCCC3)F

InChI

InChI=1S/C16H22FNO4S2/c1-12-9-13(5-6-14(12)17)24(21,22)16-11-23(19,20)10-15(16)18-7-3-2-4-8-18/h5-6,9,15-16H,2-4,7-8,10-11H2,1H3/p+1/t15-,16-/m0/s1