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

Systemtic Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide Openeye Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-yl-thiolane 1,1-dioxide CAS Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-(1-piperidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4S)-3-(4-ethoxyphenyl)sulfonyl-4-piperidin-1-ium-1-ylthiolane 1,1-dioxide Traditional Name: (3S,4R)-3-piperidin-1-ium-1-yl-4-p-phenetylsulfonyl-sulfolane Formula: C17H26NO5S2+ MolecularWeight: 388.52204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH+]3CCCCC3

InChI

InChI=1S/C17H25NO5S2/c1-2-23-14-6-8-15(9-7-14)25(21,22)17-13-24(19,20)12-16(17)18-10-4-3-5-11-18/h6-9,16-17H,2-5,10-13H2,1H3/p+1/t16-,17-/m0/s1