(3R,4S)-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide

Systemtic Name: (3R,4S)-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(4-methoxyphenyl)sulfonyl-4-(1-piperidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-ylthiolane 1,1-dioxide Traditional Name: (3R,4S)-3-(4-methoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-sulfolane Formula: C16H24NO5S2+ MolecularWeight: 374.49546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCCCC3

InChI

InChI=1S/C16H23NO5S2/c1-22-13-5-7-14(8-6-13)24(20,21)16-12-23(18,19)11-15(16)17-9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3/p+1/t15-,16-/m0/s1