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

Systemtic Name: (3R,4R)-3-(4-methoxy-3-methyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-thiolane 1,1-dioxide Openeye Name: (3R,4R)-3-(4-methoxy-3-methyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-thiolane 1,1-dioxide CAS Name: (3R,4R)-3-(4-methoxy-3-methylphenyl)sulfonyl-4-(1-pyrrolidin-1-iumyl)thiolane 1,1-dioxide IUPAC Name: (3R,4R)-3-(4-methoxy-3-methylphenyl)sulfonyl-4-pyrrolidin-1-ium-1-ylthiolane 1,1-dioxide Traditional Name: (3R,4R)-3-(4-methoxy-3-methyl-phenyl)sulfonyl-4-pyrrolidin-1-ium-1-yl-sulfolane Formula: C16H24NO5S2+ MolecularWeight: 374.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH+]3CCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH+]3CCCC3)OC

InChI

InChI=1S/C16H23NO5S2/c1-12-9-13(5-6-15(12)22-2)24(20,21)16-11-23(18,19)10-14(16)17-7-3-4-8-17/h5-6,9,14,16H,3-4,7-8,10-11H2,1-2H3/p+1/t14-,16+/m1/s1