(3R,4R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-thiolane 1,1-dioxide

Systemtic Name: (3R,4R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-thiolane 1,1-dioxide Openeye Name: (3R,4R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-thiolane 1,1-dioxide CAS Name: (3R,4R)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-(1-pyrrolidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4R)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-pyrrolidin-1-ium-1-ylthiolane 1,1-dioxide Traditional Name: (3R,4R)-3-(4-methoxy-2,5-dimethyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-sulfolane Formula: C17H26NO5S2+ MolecularWeight: 388.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCCC3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH+]3CCCC3)C)OC

InChI

InChI=1S/C17H25NO5S2/c1-12-9-16(13(2)8-15(12)23-3)25(21,22)17-11-24(19,20)10-14(17)18-6-4-5-7-18/h8-9,14,17H,4-7,10-11H2,1-3H3/p+1/t14-,17+/m1/s1